2-Aminopyrimidine-5-methanol - CAS 120747-85-5

Catalog:	BB004962
Product Name:	2-Aminopyrimidine-5-methanol
CAS:	120747-85-5
Synonyms:	(2-amino-5-pyrimidinyl)methanol; (2-aminopyrimidin-5-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(2-aminopyrimidin-5-yl)methanol
Description:	2-Aminopyrimidine-5-methanol (CAS# 120747-85-5) is a useful research chemical.
Molecular Weight:	125.13
Molecular Formula:	C5H7N3O
Canonical SMILES:	C1=C(C=NC(=N1)N)CO
InChI:	InChI=1S/C5H7N3O/c6-5-7-1-4(3-9)2-8-5/h1-2,9H,3H2,(H2,6,7,8)
InChI Key:	NUGGQZDIPXLGQW-UHFFFAOYSA-N
Boiling Point:	396.3 °C at 760 mmHg
Density:	1.36 g/cm³
LogP:	-0.51880

Publication Number	Title	Priority Date
CN-105237482-B	A kind of synthetic method of the hydroxymethylpyrimidine of 2 ethyl, 4 amino 5	20151102
CA-2987179-A1	Heterocyclic compounds as inhibitors of vanin-1 enzyme	20150529
EP-3303303-A1	Novel heterocyclic compounds as inhibitors of vanin-1 enzyme	20150529
JP-2018516254-A	Novel heterocyclic compounds as inhibitors of vanin 1 enzyme	20150529
US-10308615-B2	Heterocyclic compounds as inhibitors of Vanin-1 enzyme	20150529

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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]; H319 (100%): Causes serious eye irritation [Warning 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	80.3
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:	2
Isotope Atom Count:	0
Monoisotopic Mass:	125.058911855
Rotatable Bond Count:	1
Topological Polar Surface Area:	72
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1