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

C17H12N4O — CID 137286214

IUPAC4-anilino-6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)nc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C17H12N4O/c18-11-14-16(19-13-9-5-2-6-10-13)20-15(21-17(14)22)12-7-3-1-4-8-12/h1-10H,(H2,19,20,21,22)
InChIKeyVLGZXPHZNMDNIM-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.05
Rot. Bonds3

About 4-anilino-6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile

4-anilino-6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile (PubChem CID 137286214) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-anilino-6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-anilino-6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile
PubChem CID137286214
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name4-anilino-6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)nc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C17H12N4O/c18-11-14-16(19-13-9-5-2-6-10-13)20-15(21-17(14)22)12-7-3-1-4-8-12/h1-10H,(H2,19,20,21,22)
InChIKeyVLGZXPHZNMDNIM-UHFFFAOYSA-N
XLogP3.05
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 4-anilino-6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile (CID 137286214) is 4-anilino-6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-anilino-6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 4-anilino-6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile is N#Cc1c(Nc2ccccc2)nc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 4-anilino-6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile?
The InChIKey is VLGZXPHZNMDNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c18-11-14-16(19-13-9-5-2-6-10-13)20-15(21-17(14)22)12-7-3-1-4-8-12/h1-10H,(H2,19,20,21,22).
What are the key properties of 4-anilino-6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile?
4-anilino-6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile has a molecular weight of 288.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 137286214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).