Mepanipyrim (HCID 86296)

Overview

Mepanipyrim can cause cancer according to The Environmental Protection Agency (EPA).

Names & identifiers

Preferred name: Mepanipyrim
IUPAC: 4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine
English name: MEPANIPYRIM
Molecular formula: C14H13N3
Molecular weight: 223.27

Names & synonyms

Mepanipyrim110235-47-74-Methyl-N-phenyl-6-(1-propynyl)-2-pyrimidinamineDTXSID4042121B150X76OJYN-(4-methyl-6-prop-1-ynylpyrimidin-2-yl)aniline4-methyl-N-phenyl-6-prop-1-ynyl-pyrimidin-2-amineCHEBI:6751DTXCID2022121KIF-3535KUF-6201RefChem:156502

Show more names

MepanioyrimmepanipyrinMepanipyrim 50Mepanipyrim-D5MEPANIPYRIM STANDARDMepanipyrim in AcetonitrileMepanipyrim@100 μg/mL in AcCN

600-951-7Mepanipyrim [ISO]4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine4-methyl-N-phenyl-6-(prop-1-yn-1-yl)pyrimidin-2-amine2-Pyrimidinamine, 4-methyl-N-phenyl-6-(1-propynyl)-2-Anilino-4-methyl-6-(1-propynyl)pyrimidineFRUPICA4-methyl-N-phenyl-6-(prop-1-ynyl)pyrimidin-2-amine

Database identifiers

CAS: 110235-47-7
PubChem CID: 86296
DTXSID: DTXSID4042121
ChEMBL: CHEMBL2269513
ChEBI: CHEBI:6751
UNII: B150X76OJY
EC Number: 432-140-7、600-951-7
Nikkaji: J583.868A

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 37.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 295

Experimental & physicochemical properties

Pesticides · 4 items

Agrochemicals -> Pesticide active substances

Active substance -> EU Pesticides database: Not approved

Fungicides

Pesticide (Mepanipyrim) -> USDA PDB

LogP3.42

Ionization Efficiency · 6 items

Positive

3.87

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Collision Cross Section · 4 items

147.3 Å² [M]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID4042121]

152.07 Å² [M+H]+ [CCS Type: TW]

153.05 Å² [M+H]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]

152.76 Å² [M+H]+

Physicochemical properties

Melting point: 125 · 125-126° (Maeno); also reported as 132.8° (Hayashi)
Boiling point: 418.2 · 418.2±47.0 °C(Predicted)
Density: 1.16 · 1.16±0.1 g/cm3(Predicted)
vapor pressure: 2.32 x · 2.32 x l0-5 Pa (20 °C)
Flash point: 131 °C · 131 °C
storage temp.: 0 · 0-6°C
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 4.5 · 4.5 (est. base)
Water Solubility: 3.1 mg · 3.1 mg l-1(20 °C)
color: White to Off-White
Henry's Law Constant: 6 · 6.0×102 mol/(m3Pa) at 25℃, Maniere et al. (2011)
Major Application: agricultureenvironmental
InChI: 1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17)
InChIKey: CIFWZNRJIBNXRE-UHFFFAOYSA-N
SMILES: CC#Cc1cc(C)nc(Nc2ccccc2)n1
LogP: 3.28 · 3.280
EWG's Food Scores: 2 · 2
FDA UNII: 150 X76OJY · B150X76OJY
Proposition 65 List: Mepanipyrim
Pesticides Freedom of Information Act (FOIA): Mepanipyrim
EPA Substance Registry System: Mepanipyrim (110235-47-7)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 8 · GHS08,GHS09
Signal word: Warning
Hazard statements: 351 · H351-H410
Precautionary statements: 202 · P202-P273-P280-P308+P313-P391-P405
PPE: Eyeshields, Faceshields, Gloves
Hazard Codes: N,Xn
Risk Statements: 51 · 51/53-50/53-40
Safety Statements: 60 · 60-61-46-36/37
RIDADR: 3077 · UN3077 9/PG 3
WGK Germany: 2 · 2
RTECS: 6261540 · UV6261540
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1Carc. 2
Toxicity: 50 in · LD50 in mice, rats, bobwhite, mallard (mg/kg): >5000, >5000, >2250, >2250 orally; in rats (mg/kg): >2000 dermally; LC50 in bluegill, rainbow trout (mg/l): 3.8, 3.1 (Maeno)
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H351: Suspected of causing cancer [Warning Carcinogenicity]

P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

Warning

H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

Hazard information

Regulatory Information · 4 items

Hazard Traits - Carcinogenicity

Commission Regulation No 844/2012

2004/62/EC, Reg. (EU) 2016/2016, Reg. (EU) 2018/524, Reg. (EU) 2019/168, Reg. (EU) 2020/421, Reg. (EU) 2021/566, Reg. (EU) 2022/378, Reg. (EU) 2023/689, Reg. (EU) 2024/1217, Reg. (EU) No 540/2011

REACH registered substance: Mepanipyrim (EC: 432-140-7)

Hazard Classes and Categories · 4 items

Carc. 2 (100%)

Carcinogenicity - category 2

Carc. 2

Safety data

PPE: Eyeshields, Faceshields, Gloves
wgk: 2
rtecs: UV6261540
ridadr: UN3077 9/PG 3
Toxicity: LD50 in mice, rats, bobwhite, mallard (mg/kg): >5000, >5000, >2250, >2250 orally; in rats (mg/kg): >2000 dermally; LC50 in bluegill, rainbow trout (mg/l): 3.8, 3.1 (Maeno)
risk_code: 51/53-50/53-40
Signal word: Warning
Symbol(GHS): GHS08,GHS09
hazard_code: N,Xn
safety_code: 60-61-46-36/37
Storage Class: 11 - Combustible Solids
Hazard statements: H351-H410
REACH Registrations: Inactive
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Carc. 2
Precautionary statements: P202-P273-P280-P308+P313-P391-P405

Chemistry & industry

Uses & manufacturing

Use ClassificationFungicides

Applications · 3 items

UsesMepanipyrim is an anilinopyrimidine fungicide which have been used in the management of fungal diseases in strawberries.

UsesAgricultural fungicide.

UsesMepanipyrim is a non-systemic fungicide that provides preventative control of diseases in pome fruits (scab), vines, strawberries, tomatoes and cucumbers (grey mould) and peaches (brown rots) caused by Botrytis cinerea, Venturia inaequaris and Monilinia fructicola.

Suppliers42 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]

Additional notes · 1 item

DefinitionChEBI: A member of the class of aminopyrimidines that is N-phenylpyrimidin-2-amine carrying additional methyl and 1-propynyl substituents at positions 4 and 6 respectively. A fungicide used to control a wide range of diseases including grey mou d on strawberries, tomatoes and cucumabers, and scab on apples and pears.