2-Methylpyrimidin-4-amine

HCID 295763

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Basic information

CAS: 74-69-1
Standard SMILES: Cc1nccc(N)n1
InChIKey: GKVDLTTVBNOGNJ-UHFFFAOYSA-N
Molecular formula: C5H7N3
Average molar mass: 109.13 g/mol
Monoisotopic mass: 109.06399722

Names & identifiers

Preferred name: 2-Methylpyrimidin-4-amine
IUPAC: 2-methylpyrimidin-4-amine
English name: 4-Pyrimidinamine, 2-methyl- (9CI)
Molecular formula: C5H7N3
Molecular weight: 109.13

Names & synonyms

2-methylpyrimidin-4-amineDTXSID10304309RefChem:476244DTXCID90255441899-792-674-69-12-methyl-4-pyrimidinamine4-AMINO-2-METHYLPYRIMIDINEMFCD006262952-METHYL-PYRIMIDIN-4-YLAMINE2-methylpyrimidin-4-ylamine4-Pyrimidinamine, 2-methyl- (9CI)

Show more names

184573PKR-006354-PyriMidinaMine,2-Methyl2-Methylpyrimidin-4-amine 98%2-Methyl-4-Pyrimidinamine(WX606010)2-methyl-1,4-dihydropyrimidin-4-imine

4-PYRIMIDINAMINE, 2-METHYL-8GFNSC1653702-methyl-4-amino-pyrimidineSCHEMBL117690SCHEMBL357938SCHEMBL7497612-Methyl-pyrimidin-4-yl amine

Database identifiers

CAS: 74-69-1
PubChem CID: 295763
DTXSID: DTXSID10304309
ChEMBL: CHEMBL4579021
EC Number: 899-792-6
Nikkaji: J46.537B

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 74.1

Physicochemical properties

Melting point: 204 · 204-205℃
Boiling point: 222 ℃ · 222℃
Density: 1.155 · 1.155
Flash point: 111 ℃ · 111℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 5.99 · 5.99±0.10(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C5H7N3/c1-4-7-3-2-5(6)8-4/h2-3H,1H3,(H2,6,7,8)
InChIKey: GKVDLTTVBNOGNJ-UHFFFAOYSA-N
SMILES: C1(C)=NC=CC(N)=N1
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 261 · P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22-37/38-41
Safety Statements: 26 · 26-39
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.