Pyrimidine-4-carboxamide - CAS 28648-86-4

Name: Pyrimidine-4-carboxamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB019901
Product Name:	Pyrimidine-4-carboxamide
CAS:	28648-86-4
Synonyms:	4-pyrimidinecarboxamide; pyrimidine-4-carboxamide

Technical Data

Safety and Hazards

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Literatures

Computed Properties

IUPAC Name:	pyrimidine-4-carboxamide
Description:	Pyrimidine-4-carboxamide (CAS# 28648-86-4) is a useful research chemical.
Molecular Weight:	123.11
Molecular Formula:	C5H5N3O
Canonical SMILES:	C1=CN=CN=C1C(=O)N
InChI:	InChI=1S/C5H5N3O/c6-5(9)4-1-2-7-3-8-4/h1-3H,(H2,6,9)
InChI Key:	HKSQZEGSMBFHGC-UHFFFAOYSA-N
LogP:	0.27580

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]C11H21ClO
Undecanoyl chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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

Publication Number	Title	Priority Date
US-2015284383-A1	Indole derivatives and use thereof	20140407
US-2016009659-A1	Pyrimidine carboxamides as sodium channel blockers	20130304
WO-2014135955-A1	Pyrimidine carboxamides as sodium channel blockers	20130304
EP-2914622-A2	Novel fusion molecules and uses thereof	20121105
US-2015141401-A1	Novel beta-lactamase inhibitor and process for preparing the same	20120530

PMID	Publication Date	Title	Journal
21687347	20110401	Antidepressant potential of nitrogen-containing heterocyclic moieties: An updated review	Journal of pharmacy & bioallied sciences
20933409	20101115	Arylpiperazine-containing pyrimidine 4-carboxamide derivatives targeting serotonin 5-HT(2A), 5-HT(2C), and the serotonin transporter as a potential antidepressant	Bioorganic & medicinal chemistry letters

Complexity:	115
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.043261792
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	123.043261792
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7