5-Amino-4-methoxypyrimidine - CAS 15579-82-5

Catalog:	BB011162
Product Name:	5-Amino-4-methoxypyrimidine
CAS:	15579-82-5
Synonyms:	4-methoxy-5-pyrimidinamine; 4-methoxypyrimidin-5-amine

Technical Data

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Computed Properties

IUPAC Name:	4-methoxypyrimidin-5-amine
Description:	5-Amino-4-methoxypyrimidine (CAS# 15579-82-5) is a useful research chemical.
Molecular Weight:	125.13
Molecular Formula:	C5H7N3O
Canonical SMILES:	COC1=NC=NC=C1N
InChI:	InChI=1S/C5H7N3O/c1-9-5-4(6)2-7-3-8-5/h2-3H,6H2,1H3
InChI Key:	GNGTVTHIGJBTNV-UHFFFAOYSA-N
Boiling Point:	264.3 °C at 760 mmHg
Density:	1.224 g/cm³
LogP:	0.64860

Publication Number	Title	Priority Date
AU-2017208555-A1	New 6-membered heteroaromatic substituted cyanoindoline derivatives as NIK inhibitors	20160122
CA-3012031-A1	New 6-membered heteroaromatic substituted cyanoindoline derivatives as nik inhibitors	20160122
EP-3405464-B1	New 6-membered heteroaromatic substituted cyanoindoline derivatives as nik inhibitors	20160122
CA-3011180-A1	3-(carboxymethyl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives	20160113
EP-3402785-B1	3-(carboxymethyl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives	20160113

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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:	88.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.058911855
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	125.058911855
Rotatable Bond Count:	1
Topological Polar Surface Area:	61 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2