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

C11H8N4O — CID 135724997

IUPAC2-amino-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(N)[nH]c1=O
InChIInChI=1S/C11H8N4O/c12-6-8-9(7-4-2-1-3-5-7)14-11(13)15-10(8)16/h1-5H,(H3,13,14,15,16)
InChIKeyFOSZENPYKBPMAO-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.89
Rot. Bonds1

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

2-amino-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile (PubChem CID 135724997) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-amino-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
PubChem CID135724997
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name2-amino-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(N)[nH]c1=O
InChIInChI=1S/C11H8N4O/c12-6-8-9(7-4-2-1-3-5-7)14-11(13)15-10(8)16/h1-5H,(H3,13,14,15,16)
InChIKeyFOSZENPYKBPMAO-UHFFFAOYSA-N
XLogP0.89
TPSA95.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_B(27)', 'substructure': 'N/A'}

Analyze 2-amino-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile (CID 135724997) is 2-amino-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile?
The InChIKey is FOSZENPYKBPMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c12-6-8-9(7-4-2-1-3-5-7)14-11(13)15-10(8)16/h1-5H,(H3,13,14,15,16).
What are the key properties of 2-amino-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile?
2-amino-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile has a molecular weight of 212.21 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 135724997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).