Methyl 2-Hydroxypyrimidine-5-carboxylate - CAS 50628-34-7

Catalog:	BB027147
Product Name:	Methyl 2-Hydroxypyrimidine-5-carboxylate
CAS:	50628-34-7
Synonyms:	2-oxo-1H-pyrimidine-5-carboxylic acid methyl ester; methyl 2-oxo-1H-pyrimidine-5-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-oxo-1H-pyrimidine-5-carboxylate
Description:	Methyl 2-Hydroxypyrimidine-5-carboxylate (CAS# 50628-34-7 ) is a useful research chemical.
Molecular Weight:	154.12
Molecular Formula:	C6H6N2O3
Canonical SMILES:	COC(=O)C1=CNC(=O)N=C1
InChI:	InChI=1S/C6H6N2O3/c1-11-5(9)4-2-7-6(10)8-3-4/h2-3H,1H3,(H,7,8,10)
InChI Key:	QYDSKAQQVIKEOK-UHFFFAOYSA-N
Density:	1.399 g/cm³
LogP:	-0.03120

Publication Number	Title	Priority Date
EP-2694075-B1	Phosphoinositide 3-kinase inhibitor with a zinc binding moiety	20110401
US-2013090335-A1	Phosphoinositide 3-kinase inhibitor with a zinc binding moiety	20110401
US-2014243330-A1	Phosphoinositide 3-kinase inhibitor with a zinc binding moiety	20110401
US-2016185796-A1	Phosphoinositide 3-kinase inhibitor with a zinc binding moiety	20110401
US-2017304279-A1	Phosphoinositide 3-kinase inhibitor with a zinc binding moiety	20110401

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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:	255
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.03784206
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.03784206
Rotatable Bond Count:	2
Topological Polar Surface Area:	67.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6