4-Amino-6-chloro-2-methoxypyrimidine - CAS 3286-55-3

Catalog:	BB021447
Product Name:	4-Amino-6-chloro-2-methoxypyrimidine
CAS:	3286-55-3
Synonyms:	6-chloro-2-methoxy-4-pyrimidinamine; 6-chloro-2-methoxypyrimidin-4-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	6-chloro-2-methoxypyrimidin-4-amine
Description:	4-Amino-6-chloro-2-methoxypyrimidine (CAS# 3286-55-3) is a useful research chemical.
Molecular Weight:	159.57
Molecular Formula:	C5H6ClN3O
Canonical SMILES:	COC1=NC(=CC(=N1)Cl)N
InChI:	InChI=1S/C5H6ClN3O/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3,(H2,7,8,9)
InChI Key:	AYUWLPGLWAGNHK-UHFFFAOYSA-N
Boiling Point:	337.8 °C at 760 mmHg
Density:	1.398 g/cm³
MDL:	MFCD11053596
LogP:	1.30200

Publication Number	Title	Priority Date
TW-202000666-A	Imidazopyrimidines and triazolopyrimidines as A2A / A2B inhibitors	20180227
US-2019292188-A1	Imidazopyrimidines and triazolopyrimidines as a2a / a2b inhibitors	20180227
IL-276873-D0	Midazopyrimidines and triazolopyrimidines as a2a / a2b inhibitors	20180227
CN-112384515-A	Imidazopyrimidines and triazolopyrimidines as A2A/A2B inhibitors	20180227
US-2021139485-A1	Imidazopyrimidines and triazolopyrimidines as a2a / a2b inhibitors	20180227

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Complexity:	113
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.0199395
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	159.0199395
Rotatable Bond Count:	1
Topological Polar Surface Area:	61
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1