3-phenylpyrido[1,2-a]pyrimidine-2,4-dione

C14H10N2O2 — CID 4623805

IUPAC3-phenylpyrido[1,2-a]pyrimidine-2,4-dione
SMILESO=C1N=C2C=CC=CN2C(=O)C1c1ccccc1
InChIInChI=1S/C14H10N2O2/c17-13-12(10-6-2-1-3-7-10)14(18)16-9-5-4-8-11(16)15-13/h1-9,12H
InChIKeySAGNZOWBDHLCJD-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.62
Rot. Bonds1

About 3-phenylpyrido[1,2-a]pyrimidine-2,4-dione

3-phenylpyrido[1,2-a]pyrimidine-2,4-dione (PubChem CID 4623805) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-phenylpyrido[1,2-a]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-phenylpyrido[1,2-a]pyrimidine-2,4-dione
PubChem CID4623805
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name3-phenylpyrido[1,2-a]pyrimidine-2,4-dione
SMILESO=C1N=C2C=CC=CN2C(=O)C1c1ccccc1
InChIInChI=1S/C14H10N2O2/c17-13-12(10-6-2-1-3-7-10)14(18)16-9-5-4-8-11(16)15-13/h1-9,12H
InChIKeySAGNZOWBDHLCJD-UHFFFAOYSA-N
XLogP1.62
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-phenylpyrido[1,2-a]pyrimidine-2,4-dione 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 3-phenylpyrido[1,2-a]pyrimidine-2,4-dione?
The IUPAC name of 3-phenylpyrido[1,2-a]pyrimidine-2,4-dione (CID 4623805) is 3-phenylpyrido[1,2-a]pyrimidine-2,4-dione.
What is the SMILES notation for 3-phenylpyrido[1,2-a]pyrimidine-2,4-dione?
The canonical SMILES for 3-phenylpyrido[1,2-a]pyrimidine-2,4-dione is O=C1N=C2C=CC=CN2C(=O)C1c1ccccc1.
What is the InChIKey of 3-phenylpyrido[1,2-a]pyrimidine-2,4-dione?
The InChIKey is SAGNZOWBDHLCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-13-12(10-6-2-1-3-7-10)14(18)16-9-5-4-8-11(16)15-13/h1-9,12H.
What are the key properties of 3-phenylpyrido[1,2-a]pyrimidine-2,4-dione?
3-phenylpyrido[1,2-a]pyrimidine-2,4-dione has a molecular weight of 238.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpyrido[1,2-a]pyrimidine-2,4-dione is sourced from PubChem (CID 4623805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).