4-Amino-6-methylpyrimidine - CAS 3435-28-7

Catalog:	BB022085
Product Name:	4-Amino-6-methylpyrimidine
CAS:	3435-28-7
Synonyms:	6-methyl-4-pyrimidinamine; 6-methylpyrimidin-4-amine

Technical Data

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Computed Properties

IUPAC Name:	6-methylpyrimidin-4-amine
Description:	4-Amino-6-methylpyrimidine (CAS# 3435-28-7) is a useful research chemical.
Molecular Weight:	109.13
Molecular Formula:	C5H7N3
Canonical SMILES:	CC1=CC(=NC=N1)N
InChI:	InChI=1S/C5H7N3/c1-4-2-5(6)8-3-7-4/h2-3H,1H3,(H2,6,7,8)
InChI Key:	LAERIBHKDNBVOO-UHFFFAOYSA-N
Boiling Point:	250.242 °C at 760 mmHg
Density:	1.156 g/cm³
MDL:	MFCD00188073
LogP:	0.94840

Publication Number	Title	Priority Date
WO-2021198149-A1	Substituted 3-phenoxyazetidin-1-yl-pyrazines having gpr52 agonistic activity	20200330
WO-2021161105-A1	P2x3 modulators	20200214
CN-111377917-A	Heterocyclic compound, intermediate, preparation method and application thereof	20181229
WO-2020135771-A1	Heterocyclic compound intermediate, preparation method therefor and application thereof	20181229
CN-113272301-A	Heterocyclic compound, intermediate, preparation method and application thereof	20181229

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	74.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	109.063997236
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	109.063997236
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2