5-Amino-2-methylpyrimidine - CAS 39889-94-6

Catalog:	BB024177
Product Name:	5-Amino-2-methylpyrimidine
CAS:	39889-94-6
Synonyms:	2-methyl-5-pyrimidinamine; 2-methylpyrimidin-5-amine

Technical Data

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Computed Properties

IUPAC Name:	2-methylpyrimidin-5-amine
Description:	5-Amino-2-methylpyrimidine (CAS# 39889-94-6) is a useful research chemical.
Molecular Weight:	109.13
Molecular Formula:	C5H7N3
Canonical SMILES:	CC1=NC=C(C=N1)N
InChI:	InChI=1S/C5H7N3/c1-4-7-2-5(6)3-8-4/h2-3H,6H2,1H3
InChI Key:	VGPRNGGSKJHOFE-UHFFFAOYSA-N
Boiling Point:	140 °C (2 Torr)
Density:	1.155 g/cm³
Appearance:	Pale-yellow to yellow-brown solid
MDL:	MFCD09608109
LogP:	0.94840

Publication Number	Title	Priority Date
CN-113493420-A	EGFR tyrosine kinase inhibitor and application thereof	20200318
WO-2021185298-A1	Egfr tyrosine kinase inhibitor and use thereof	20200318
WO-2021127459-A1	Gpr139 receptor modulators	20191220
CN-111662227-A	O-aminopyridine alkyne compound and preparation method and application thereof	20190306
WO-2020177603-A1	O-aminopyridylalkyne compound and preparation method therefor and use thereof	20190306

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	66.1
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:	-0.1