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

C11H7N3O — CID 824689

IUPAC6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C11H7N3O/c12-6-9-7-13-10(14-11(9)15)8-4-2-1-3-5-8/h1-5,7H,(H,13,14,15)
InChIKeyGPPZJCZWTPPMDD-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.31
Rot. Bonds1

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

6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile (PubChem CID 824689) has the molecular formula C11H7N3O and a molecular weight of 197.20 g/mol. Its IUPAC name is 6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile
PubChem CID824689
Molecular FormulaC11H7N3O
Molecular Weight197.20 g/mol
Exact Mass197.06
IUPAC Name6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C11H7N3O/c12-6-9-7-13-10(14-11(9)15)8-4-2-1-3-5-8/h1-5,7H,(H,13,14,15)
InChIKeyGPPZJCZWTPPMDD-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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Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile (CID 824689) is 6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile is N#Cc1cnc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile?
The InChIKey is GPPZJCZWTPPMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O/c12-6-9-7-13-10(14-11(9)15)8-4-2-1-3-5-8/h1-5,7H,(H,13,14,15).
What are the key properties of 6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile?
6-oxo-2-phenyl-1H-pyrimidine-5-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-2-phenyl-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 824689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).