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4-Oxo-3,4-dihydro-5-pyrimidinecarboxylic Acid

4-Oxo-3,4-dihydro-5-pyrimidinecarboxylic Acid - CAS 65754-04-3

Catalog:	BB032824
Product Name:	4-Oxo-3,4-dihydro-5-pyrimidinecarboxylic Acid
CAS:	65754-04-3
Synonyms:	6-oxo-1H-pyrimidine-5-carboxylic acid; 6-oxo-1H-pyrimidine-5-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-oxo-1H-pyrimidine-5-carboxylic acid
Description:	4-Oxo-3,4-dihydro-5-pyrimidinecarboxylic Acid (CAS# 65754-04-3) is a useful research chemical.
Molecular Weight:	140.10
Molecular Formula:	C5H4N2O3
Canonical SMILES:	C1=C(C(=O)NC=N1)C(=O)O
InChI:	InChI=1S/C5H4N2O3/c8-4-3(5(9)10)1-6-2-7-4/h1-2H,(H,9,10)(H,6,7,8)
InChI Key:	JKDACPUPAMICIA-UHFFFAOYSA-N
Boiling Point:	364.482 °C at 760 mmHg
Density:	1.613 g/cm³
MDL:	MFCD08692965
LogP:	-0.11960

Publication Number	Title	Priority Date
CN-104744446-A	Hetero-aromatic compound and application thereof in medicine	20131230
CN-104744446-B	Heteroaryl compound and its application in drug	20131230
EP-2562174-A1	Herbicidal 6-Oxo-1,6-dihydropyrimidin-5-carboxamides and 2-Oxo-1,2-dihydropyridin-3-carboxamides	20110824
US-2013157996-A1	Trpm8 antagonists and their use in treatments	20110624
US-2014171406-A1	Trpm8 antagonists and their use in treatments	20110624

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

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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:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.02219199
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	140.02219199
Rotatable Bond Count:	1
Topological Polar Surface Area:	78.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4