6-oxo-2,4-diphenyl-1H-pyrimidine-5-carbonitrile

C17H11N3O — CID 135409737

IUPAC6-oxo-2,4-diphenyl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C17H11N3O/c18-11-14-15(12-7-3-1-4-8-12)19-16(20-17(14)21)13-9-5-2-6-10-13/h1-10H,(H,19,20,21)
InChIKeyOJLBPYXICVIGMG-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.98
Rot. Bonds2

About 6-oxo-2,4-diphenyl-1H-pyrimidine-5-carbonitrile

6-oxo-2,4-diphenyl-1H-pyrimidine-5-carbonitrile (PubChem CID 135409737) has the molecular formula C17H11N3O and a molecular weight of 273.30 g/mol. Its IUPAC name is 6-oxo-2,4-diphenyl-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name6-oxo-2,4-diphenyl-1H-pyrimidine-5-carbonitrile
PubChem CID135409737
Molecular FormulaC17H11N3O
Molecular Weight273.30 g/mol
Exact Mass273.09
IUPAC Name6-oxo-2,4-diphenyl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C17H11N3O/c18-11-14-15(12-7-3-1-4-8-12)19-16(20-17(14)21)13-9-5-2-6-10-13/h1-10H,(H,19,20,21)
InChIKeyOJLBPYXICVIGMG-UHFFFAOYSA-N
XLogP2.98
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Dihydro-2-oxo-4,6-diphenyl-3-pyridinecarbonitrile
CID 368861
6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
2-Amino-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
CID 135724997
2-methyl-7-oxo-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 666499
5,6-Diamino-2-phenylpyrimidin-4(3H)-one
CID 135401368
5-Methyl-2,6-diphenyl-4-pyrimidinol
CID 135401354
6-Methyl-2-(3-methylphenyl)pyrimidin-4-ol
CID 135472983
4-Hydroxy-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 135410007
2-Ethyl-6-phenyl-4(3H)-pyrimidinone
CID 135473407
2-Phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 135578165
2,3,5,6,7,8-hexahydro-3-oxo-1-phenyl-4-Isoquinolinecarbonitrile
CID 658196
2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-ol
CID 135753389

Frequently Asked Questions

What is the IUPAC name of 6-oxo-2,4-diphenyl-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 6-oxo-2,4-diphenyl-1H-pyrimidine-5-carbonitrile (CID 135409737) is 6-oxo-2,4-diphenyl-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 6-oxo-2,4-diphenyl-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 6-oxo-2,4-diphenyl-1H-pyrimidine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 6-oxo-2,4-diphenyl-1H-pyrimidine-5-carbonitrile?
The InChIKey is OJLBPYXICVIGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O/c18-11-14-15(12-7-3-1-4-8-12)19-16(20-17(14)21)13-9-5-2-6-10-13/h1-10H,(H,19,20,21).
What are the key properties of 6-oxo-2,4-diphenyl-1H-pyrimidine-5-carbonitrile?
6-oxo-2,4-diphenyl-1H-pyrimidine-5-carbonitrile has a molecular weight of 273.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2,4-diphenyl-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 135409737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).