2-phenyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C13H12N2O — CID 135753389

IUPAC2-phenyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2c1CCC2
InChIInChI=1S/C13H12N2O/c16-13-10-7-4-8-11(10)14-12(15-13)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,15,16)
InChIKeyAGQQOLIHSSZYLE-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.93
Rot. Bonds1

About 2-phenyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-phenyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 135753389) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-phenyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-phenyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID135753389
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2-phenyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2c1CCC2
InChIInChI=1S/C13H12N2O/c16-13-10-7-4-8-11(10)14-12(15-13)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,15,16)
InChIKeyAGQQOLIHSSZYLE-UHFFFAOYSA-N
XLogP1.93
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-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 2-phenyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-phenyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 135753389) is 2-phenyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-phenyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-phenyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is O=c1[nH]c(-c2ccccc2)nc2c1CCC2.
What is the InChIKey of 2-phenyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is AGQQOLIHSSZYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c16-13-10-7-4-8-11(10)14-12(15-13)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,15,16).
What are the key properties of 2-phenyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-phenyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 212.25 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 135753389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).