6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carbonitrile

C16H10N4O — CID 135463837

IUPAC6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(-c2cccnc2)[nH]c1=O
InChIInChI=1S/C16H10N4O/c17-9-13-14(11-5-2-1-3-6-11)19-15(20-16(13)21)12-7-4-8-18-10-12/h1-8,10H,(H,19,20,21)
InChIKeyJNDYQVCCDDLXNP-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.37
Rot. Bonds2

About 6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carbonitrile

6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carbonitrile (PubChem CID 135463837) has the molecular formula C16H10N4O and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carbonitrile
PubChem CID135463837
Molecular FormulaC16H10N4O
Molecular Weight274.28 g/mol
Exact Mass274.09
IUPAC Name6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(-c2cccnc2)[nH]c1=O
InChIInChI=1S/C16H10N4O/c17-9-13-14(11-5-2-1-3-6-11)19-15(20-16(13)21)12-7-4-8-18-10-12/h1-8,10H,(H,19,20,21)
InChIKeyJNDYQVCCDDLXNP-UHFFFAOYSA-N
XLogP2.37
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Milrinone
CID 4197
Pelrinone
CID 135413516
2-(Pyridin-4-yl)quinazolin-4-ol
CID 135412668
6-Methyl-2-(3-pyridinyl)-4-pyrimidinol
CID 135439676
2-imino-10-methyl-5-oxo-1-phenethyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 1077312
2-(Pyridin-3-yl)-6-(trifluoromethyl)pyrimidin-4-ol
CID 135410009
2-Amino-6-pyridin-3-yl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 136055841
(E)-2-cyano-3-(4-fluorophenyl)-N-(pyridin-2-yl)acrylamide
CID 5396610
(E)-2-(2-(pyridin-2-yl)vinyl)quinazolin-4(3H)-one
CID 135548602
3-Methyl-2-(3-phenylpropyl)-6-(4-pyridinyl)-4(3H)-pyrimidinone
CID 9817982
3-Methyl-2-(2-phenylethylamino)-6-pyridin-4-ylpyrimidin-4-one
CID 9882994
2-[5-Aminopentyl(2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595656

Frequently Asked Questions

What is the IUPAC name of 6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carbonitrile (CID 135463837) is 6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc(-c2cccnc2)[nH]c1=O.
What is the InChIKey of 6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carbonitrile?
The InChIKey is JNDYQVCCDDLXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O/c17-9-13-14(11-5-2-1-3-6-11)19-15(20-16(13)21)12-7-4-8-18-10-12/h1-8,10H,(H,19,20,21).
What are the key properties of 6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carbonitrile?
6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carbonitrile has a molecular weight of 274.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 135463837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).