4-Amino-6-hydroxypyrimidine - CAS 1193-22-2

Name: 4-Amino-6-hydroxypyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB004465
Product Name:	4-Amino-6-hydroxypyrimidine
CAS:	1193-22-2
Synonyms:	4-amino-1H-pyrimidin-6-one; 4-amino-1H-pyrimidin-6-one

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Computed Properties

IUPAC Name:	4-amino-1H-pyrimidin-6-one
Description:	4-Amino-6-hydroxypyrimidine (CAS# 1193-22-2) is a compound useful in organic synthesis.
Molecular Weight:	111.10
Molecular Formula:	C4H5N3O
Canonical SMILES:	C1=C(N=CNC1=O)N
InChI:	InChI=1S/C4H5N3O/c5-3-1-4(8)7-2-6-3/h1-2H,(H3,5,6,7,8)
InChI Key:	HFMLLTVIMFEQRE-UHFFFAOYSA-N
Boiling Point:	227.5 °C at 760 mmHg
Purity:	98 %
Density:	1.55 g/cm³
Solubility:	Soluble in water
Appearance:	White solid
MDL:	MFCD00051502
LogP:	-0.06670

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2014048894-A1	Substituted indazol-pyrrolopyrimidines useful in the treatment of hyperfoliferative disorders	20120926
US-2013029990-A1	Pyrazole p38 map kinase inhibitors	20100401
US-2016130256-A1	Novel compounds	20100401
WO-2011121366-A1	Pyrazole p38 map kinase inhibitors	20100401
US-2012244120-A1	Inhibitors of hemopoietic cell kinase (p59-hck) and their use in the treatment of influenza infection	20091211

PMID	Publication Date	Title	Journal
11960502	20020425	6-[2-(Phosphonomethoxy)alkoxy]pyrimidines with antiviral activity	Journal of medicinal chemistry
11801189	20010101	NO-independent regulatory site of direct sGC stimulators like YC-1 and BAY 41-2272	BMC pharmacology

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	111.043261792
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	111.043261792
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.2