4-Amino-2-(methoxymethyl)pyrimidine - CAS 3122-85-8

Catalog:	BB020837
Product Name:	4-Amino-2-(methoxymethyl)pyrimidine
CAS:	3122-85-8
Synonyms:	2-(methoxymethyl)-4-pyrimidinamine; 2-(methoxymethyl)pyrimidin-4-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(methoxymethyl)pyrimidin-4-amine
Description:	4-Amino-2-(methoxymethyl)pyrimidine (CAS# 3122-85-8) is a useful research chemical.
Molecular Weight:	139.16
Molecular Formula:	C6H9N3O
Canonical SMILES:	COCC1=NC=CC(=N1)N
InChI:	InChI=1S/C6H9N3O/c1-10-4-6-8-3-2-5(7)9-6/h2-3H,4H2,1H3,(H2,7,8,9)
InChI Key:	AUNQXUFJXZBTIV-UHFFFAOYSA-N
LogP:	0.13530

Publication Number	Title	Priority Date
EP-2760843-A2	Selective nr2b antagonists	20110926
WO-2013048949-A2	Selective nr2b antagonists	20110926
AU-2009354790-A1	Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands	20091029
EP-2493892-A1	Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands	20091029
WO-2011053292-A1	Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands	20091029

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5