CAS 7749-47-5 4-Methoxy-6-methylpyrimidin-2-amine (HCID 587236)

Names & identifiers

Preferred name: 4-Methoxy-6-methylpyrimidin-2-amine
IUPAC: 4-methoxy-6-methylpyrimidin-2-amine
English name: 2-Amino-4-methoxy-6-methylpyrimidine
Molecular formula: C6H9N3O
Molecular weight: 139.16

Names & synonyms

4-methoxy-6-methylpyrimidin-2-amineRefChem:524635620-757-62-Amino-4-methoxy-6-methylpyrimidine7749-47-52-Amino-4-methyl-6-methoxypyrimidineMFCD000597682-Pyrimidinamine, 4-methoxy-6-methyl-4-methoxy-6-methylpyrimidine-2-ylamine4-Methoxy-6-methyl-2-pyrimidinamine4-methoxy-6-methylpyrimidine-2-aminePyrimidine, 2-amino-4-methoxy-6-methyl-

Show more names

TIMTEC-BB SBB0067444-Methyl-6-methoxypyrimidine-2-amine2-Amino-4-methoxy-6-methylpyrimidine >2-AMINO-4-METHOXY-6-METHYLPYRIMIDINE, 98 %

Oprea1_769683SCHEMBL754480orb3029284SCHEMBL1880465DTXSID90343074PDK03612amino-4-methyl-6-methoxypyrimidineSBB006744

Database identifiers

CAS: 7749-47-5
PubChem CID: 587236
DTXSID: DTXSID90343074
EC Number: 620-757-6
Nikkaji: J58.049J

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 61 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 109

Physicochemical properties

Melting point: 156 · 156-158 °C (lit.)
Boiling point: 255.11 °C · 255.11°C (rough estimate)
Density: 1.2081 · 1.2081 (rough estimate)
refractive index: 1.65 · 1.6500 (estimate)
storage temp.: 2 · 2-8°C, protect from light
solubility: 1 %, · methanol: soluble1%, clear to very slightly hazy, colorless to yellow
form: powder to crystal
pka: 6.38 · 6.38±0.10(Predicted)
color: White to Almost white
BRN: 121733 · 121733
InChI: 1S/C6H9N3O/c1-4-3-5(10-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)
InChIKey: SNWZXTZIZWBIDQ-UHFFFAOYSA-N
SMILES: COc1cc(C)nc(N)n1
CAS DataBase Reference: 7749 · 7749-47-5(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-21/22
Safety Statements: 26 · 26-36-37/39
WGK Germany: 3 · 3
F: 8 · 8
Hazard Note: Irritant
HS Code: 29335990 · 29335990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

Safety data

F: 8
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29335990
risk_code: 36/37/38-21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses2-Amino-4-methoxy-6-methylpyrimidine may be employed as nucleophile to investigate the regioselective introduction of some nucleophiles at the secondary position of Baylis-Hillman adducts. It may be used in the preparation of 2-amino-4-methoxy-6-methylpyrimidin-1-ium picrate.

General Description2-Amino-4-methoxy-6-methylpyrimidine (AMMP) is a pyrimidine derivative. It acts as electron donor and forms charge transfer complexes with iodine (σ-electron acceptor). The FTIR and FT-Raman spectra of 2-amino-4-methoxy-6-methylpyrimidine have been recorded to evaluate the energy, structural and thermodynamical parameters. Molecules of AMMP exhibit space group of Pnma and are joined by two N-H…N hydrogen bonds.