2-Amino-5-bromo-4-methoxypyrimidine - CAS 36082-45-8

Catalog:	BB022860
Product Name:	2-Amino-5-bromo-4-methoxypyrimidine
CAS:	36082-45-8
Synonyms:	5-bromo-4-methoxy-2-pyrimidinamine; 5-bromo-4-methoxypyrimidin-2-amine

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-4-methoxypyrimidin-2-amine
Description:	2-Amino-5-bromo-4-methoxypyrimidine (CAS# 36082-45-8) is a useful research chemical.
Molecular Weight:	204.02
Molecular Formula:	C5H6BrN3O
Canonical SMILES:	COC1=NC(=NC=C1Br)N
InChI:	InChI=1S/C5H6BrN3O/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3,(H2,7,8,9)
InChI Key:	YGRROWNSCFWHHN-UHFFFAOYSA-N
Boiling Point:	364.794 °C at 760 mmHg
Density:	1.723 g/cm³
LogP:	1.41110

Publication Number	Title	Priority Date
WO-2021126728-A1	Prmt5 inhibitors	20191217
WO-2020232401-A1	Combination therapies with ire1 small molecule inhibitors	20190515
WO-2020232403-A1	Treatment of fibrosis with ire1 small molecule inhibitors	20190515
WO-2020117634-A1	Ire1 small molecule inhibitors	20181203
EP-3891130-A1	Ire1 small molecule inhibitors	20181203

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501
Signal Word:	Warning

Complexity:	113
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.96942
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	202.96942
Rotatable Bond Count:	1
Topological Polar Surface Area:	61 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9