4-Amino-2-chloro-6-methylpyrimidine - CAS 14394-60-6

Catalog:	BB009695
Product Name:	4-Amino-2-chloro-6-methylpyrimidine
CAS:	14394-60-6
Synonyms:	2-chloro-6-methyl-4-pyrimidinamine; 2-chloro-6-methylpyrimidin-4-amine

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-6-methylpyrimidin-4-amine
Description:	4-Amino-2-chloro-6-methylpyrimidine (CAS# 14394-60-6) is a useful intermediate for organic synthesis.
Molecular Weight:	143.57
Molecular Formula:	C5H6ClN3
Canonical SMILES:	CC1=CC(=NC(=N1)Cl)N
InChI:	InChI=1S/C5H6ClN3/c1-3-2-4(7)9-5(6)8-3/h2H,1H3,(H2,7,8,9)
InChI Key:	FBEIDYLEFVIOEY-UHFFFAOYSA-N
Boiling Point:	312.9 °C at 760 mmHg
Density:	1.349 g/cm³
LogP:	1.60180

Publication Number	Title	Priority Date
CN-113072541-A	Preparation method of targeted drug BLU-667	20210402
WO-2021211549-A1	Kif18a inhibitors for treatment of neoplastic diseases	20200414
WO-2021204626-A1	Aryl and heteroaryl-carboxamide substituted heteroaryl compounds as tyk2 inhibitors	20200406
CN-110790711-A	Preparation method of 2-chloro-4-amino-6-methylpyrimidine compound	20191129
WO-2021026101-A1	Kif18a inhibitors	20190802

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	98.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.0250249
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	143.0250249
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2