6-oxo-5-phenyl-1H-pyrimidine-2-carbonitrile

C11H7N3O — CID 13138678

IUPAC6-oxo-5-phenyl-1H-pyrimidine-2-carbonitrile
SMILESN#Cc1ncc(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C11H7N3O/c12-6-10-13-7-9(11(15)14-10)8-4-2-1-3-5-8/h1-5,7H,(H,13,14,15)
InChIKeyGCDKWZJDVPVZHX-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.31
Rot. Bonds1

About 6-oxo-5-phenyl-1H-pyrimidine-2-carbonitrile

6-oxo-5-phenyl-1H-pyrimidine-2-carbonitrile (PubChem CID 13138678) has the molecular formula C11H7N3O and a molecular weight of 197.20 g/mol. Its IUPAC name is 6-oxo-5-phenyl-1H-pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name6-oxo-5-phenyl-1H-pyrimidine-2-carbonitrile
PubChem CID13138678
Molecular FormulaC11H7N3O
Molecular Weight197.20 g/mol
Exact Mass197.06
IUPAC Name6-oxo-5-phenyl-1H-pyrimidine-2-carbonitrile
SMILESN#Cc1ncc(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C11H7N3O/c12-6-10-13-7-9(11(15)14-10)8-4-2-1-3-5-8/h1-5,7H,(H,13,14,15)
InChIKeyGCDKWZJDVPVZHX-UHFFFAOYSA-N
XLogP1.31
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-oxo-5-phenyl-1H-pyrimidin-2-yl)thiourea
CID 66489204
5-hydroxy-6-oxo-3-phenyl-1H-pyridine-2-carbonitrile
CID 71182451
5-(2,2-diphenylethyl)-1H-imidazole-2-carbonitrile
CID 70629170
6-hydroxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
CID 817466
5-naphthalen-1-yl-1H-imidazole-2-carbonitrile
CID 116879955
2-oxo-6-phenyl-4-pyridin-4-yl-1H-pyridine-3-carbonitrile
CID 134820680
4-oxo-3H-pyrido[2,3-d]pyrimidine-2-carbonitrile
CID 137211979
5-(4-methylphenyl)-1H-imidazole-2-carbonitrile
CID 14455635
6-methoxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
CID 13101635
2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 82307079
3-phenyl-1H-1,5-naphthyridin-2-one
CID 12992200
2-amino-5-pyridin-4-yl-1H-pyrimidin-6-one
CID 117260877

Frequently Asked Questions

What is the IUPAC name of 6-oxo-5-phenyl-1H-pyrimidine-2-carbonitrile?
The IUPAC name of 6-oxo-5-phenyl-1H-pyrimidine-2-carbonitrile (CID 13138678) is 6-oxo-5-phenyl-1H-pyrimidine-2-carbonitrile.
What is the SMILES notation for 6-oxo-5-phenyl-1H-pyrimidine-2-carbonitrile?
The canonical SMILES for 6-oxo-5-phenyl-1H-pyrimidine-2-carbonitrile is N#Cc1ncc(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 6-oxo-5-phenyl-1H-pyrimidine-2-carbonitrile?
The InChIKey is GCDKWZJDVPVZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O/c12-6-10-13-7-9(11(15)14-10)8-4-2-1-3-5-8/h1-5,7H,(H,13,14,15).
What are the key properties of 6-oxo-5-phenyl-1H-pyrimidine-2-carbonitrile?
6-oxo-5-phenyl-1H-pyrimidine-2-carbonitrile has a molecular weight of 197.20 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-5-phenyl-1H-pyrimidine-2-carbonitrile is sourced from PubChem (CID 13138678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).