2-Amino-4-chloro-6-methylpyrimidine

HCID 21810
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Basic information

CAS
5600-21-5
Standard SMILES
Cc1cc(Cl)nc(N)n1
InChIKey
NPTGVVKPLWFPPX-UHFFFAOYSA-N
Molecular formula
C5H6ClN3
Average molar mass
143.57 g/mol
Monoisotopic mass
143.02502487

Overview

2-amino-4-chloro-6-methylpyrimidine is an aminopyrimidine compound having its amino group at position 2 and chloro and methyl substituents at positions 4 and 6 respectively. It has a role as a nitrification inhibitor.

Names & identifiers

Preferred name
2-Amino-4-chloro-6-methylpyrimidine
IUPAC
4-chloro-6-methylpyrimidin-2-amine
English name
2-Amino-4-chloro-6-methylpyrimidine
Molecular formula
C5H6ClN3
Molecular weight
143.57

Names & synonyms

2-AMINO-4-CHLORO-6-METHYLPYRIMIDINE5600-21-54-chloro-6-methylpyrimidin-2-amine2-Pyrimidinamine, 4-chloro-6-methyl-4-Chloro-6-methyl-2-pyrimidinamine8ZBB1FM476NSC-7892NSC-23661DTXSID5022229CHEBI:58960RefChem:85190DTXCID802229
Show more names
AMACLPProAM-N20Rhod-4™AKOS MSC-0728Cal-630™Fura-10™AM (inhibitor)
227-018-34-chloro-6-methyl-2-pyridinamineAM (inhibitor)AM (pesticide)prepn. AM4-Chloro-6-methylpyrimidin-2-ylamineAM (nitrification inhibitor)MFCD00006091

Database identifiers

CAS
5600-21-5
PubChem CID
21810
DTXSID
DTXSID5022229
ChEMBL
CHEMBL1723906
ChEBI
CHEBI:58960
UNII
8ZBB1FM476
EC Number
227-018-3
Nikkaji
J616E

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
51.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
9

Experimental & physicochemical properties

SpringerMaterials PropertiesCrystal structure

Physicochemical properties

Melting point
183 · 183-186 °C (lit.)
Boiling point
234.32 °C · 234.32°C (rough estimate)
Density
1.2986 · 1.2986 (rough estimate)
refractive index
1.6 · 1.6000 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
50 mg/mL, · acetic acid: soluble50mg/mL, clear, colorless to faintly yellow

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
rtecs
UV6329600
hs_code
29335995
risk_code
36/37/38-20/21/22
Signal word
Warning

Chemistry & industry

Applications

Uses2-Amino-4-chloro-6-methylpyrimidine was used to study the influence of chlorine substitution in pyrimidine ring on proton donor ability of amino group in 2-aminopyrimidine.

General Description2-Amino-4-chloro-6-methylpyrimidine is a nitification inhibitor.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

Additional notes

DefinitionChEBI: An aminopyrimidine compound having its amino group at position 2 and chloro and methyl substituents at positions 4 and 6 respectively.

Related reactions

141 records
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Compound notes

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