4-(Aminomethyl)-2-methoxypyrimidine - CAS 944901-04-6

Catalog:	BB041364
Product Name:	4-(Aminomethyl)-2-methoxypyrimidine
CAS:	944901-04-6
Synonyms:	(2-methoxy-4-pyrimidinyl)methanamine; (2-methoxypyrimidin-4-yl)methanamine

Technical Data

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Computed Properties

IUPAC Name:	(2-methoxypyrimidin-4-yl)methanamine
Description:	4-(Aminomethyl)-2-methoxypyrimidine (CAS# 944901-04-6) is a useful research chemical.
Molecular Weight:	139.16
Molecular Formula:	C6H9N3O
Canonical SMILES:	COC1=NC=CC(=N1)CN
InChI:	InChI=1S/C6H9N3O/c1-10-6-8-3-2-5(4-7)9-6/h2-3H,4,7H2,1H3
InChI Key:	WDGIZDYDCQXBDL-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
LogP:	0.64420

Publication Number	Title	Priority Date
US-2014349990-A1	Pyrazolopyrrolidine Derivatives and their Use in the Treatment of Disease	20130527
US-2016095843-A1	Pyrazolopyrrolidine derivatives and their use in the treatment of disease	20130527
US-8975417-B2	Pyrazolopyrrolidine derivatives and their use in the treatment of disease	20130527
US-2011077153-A1	Substituted Heteroarylmethyl Sulfonamides	20080520
WO-2009141291-A1	Substituted heteroarylmethyl sulfonamides	20080520

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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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	99
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.074561919
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	139.074561919
Rotatable Bond Count:	2
Topological Polar Surface Area:	61 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6