6-amino-5-benzoyl-1-phenylpyrimidin-2-one

C17H13N3O2 — CID 23794289

IUPAC6-amino-5-benzoyl-1-phenylpyrimidin-2-one
SMILESNc1c(C(=O)c2ccccc2)cnc(=O)n1-c1ccccc1
InChIInChI=1S/C17H13N3O2/c18-16-14(15(21)12-7-3-1-4-8-12)11-19-17(22)20(16)13-9-5-2-6-10-13/h1-11H,18H2
InChIKeyCFAARHCSTBHAMV-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.05
Rot. Bonds3

About 6-amino-5-benzoyl-1-phenylpyrimidin-2-one

6-amino-5-benzoyl-1-phenylpyrimidin-2-one (PubChem CID 23794289) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-amino-5-benzoyl-1-phenylpyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-benzoyl-1-phenylpyrimidin-2-one
PubChem CID23794289
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name6-amino-5-benzoyl-1-phenylpyrimidin-2-one
SMILESNc1c(C(=O)c2ccccc2)cnc(=O)n1-c1ccccc1
InChIInChI=1S/C17H13N3O2/c18-16-14(15(21)12-7-3-1-4-8-12)11-19-17(22)20(16)13-9-5-2-6-10-13/h1-11H,18H2
InChIKeyCFAARHCSTBHAMV-UHFFFAOYSA-N
XLogP2.05
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-amino-5-benzoyl-1-phenylpyrimidin-2-one 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 6-amino-5-benzoyl-1-phenylpyrimidin-2-one?
The IUPAC name of 6-amino-5-benzoyl-1-phenylpyrimidin-2-one (CID 23794289) is 6-amino-5-benzoyl-1-phenylpyrimidin-2-one.
What is the SMILES notation for 6-amino-5-benzoyl-1-phenylpyrimidin-2-one?
The canonical SMILES for 6-amino-5-benzoyl-1-phenylpyrimidin-2-one is Nc1c(C(=O)c2ccccc2)cnc(=O)n1-c1ccccc1.
What is the InChIKey of 6-amino-5-benzoyl-1-phenylpyrimidin-2-one?
The InChIKey is CFAARHCSTBHAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c18-16-14(15(21)12-7-3-1-4-8-12)11-19-17(22)20(16)13-9-5-2-6-10-13/h1-11H,18H2.
What are the key properties of 6-amino-5-benzoyl-1-phenylpyrimidin-2-one?
6-amino-5-benzoyl-1-phenylpyrimidin-2-one has a molecular weight of 291.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-benzoyl-1-phenylpyrimidin-2-one is sourced from PubChem (CID 23794289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).