2-(3-phenylpropyl)-3-propyl-6-pyridin-4-ylpyrimidin-4-one

C21H23N3O — CID 72725258

IUPAC2-(3-phenylpropyl)-3-propyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCCCn1c(CCCc2ccccc2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C21H23N3O/c1-2-15-24-20(10-6-9-17-7-4-3-5-8-17)23-19(16-21(24)25)18-11-13-22-14-12-18/h3-5,7-8,11-14,16H,2,6,9-10,15H2,1H3
InChIKeyMIODWOLXLVZMFN-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.89
Rot. Bonds7

About 2-(3-phenylpropyl)-3-propyl-6-pyridin-4-ylpyrimidin-4-one

2-(3-phenylpropyl)-3-propyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 72725258) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(3-phenylpropyl)-3-propyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-(3-phenylpropyl)-3-propyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID72725258
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-(3-phenylpropyl)-3-propyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCCCn1c(CCCc2ccccc2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C21H23N3O/c1-2-15-24-20(10-6-9-17-7-4-3-5-8-17)23-19(16-21(24)25)18-11-13-22-14-12-18/h3-5,7-8,11-14,16H,2,6,9-10,15H2,1H3
InChIKeyMIODWOLXLVZMFN-UHFFFAOYSA-N
XLogP3.89
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-phenylpropyl)-3-propyl-6-pyridin-4-ylpyrimidin-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-(3-phenylpropyl)-3-propyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-(3-phenylpropyl)-3-propyl-6-pyridin-4-ylpyrimidin-4-one (CID 72725258) is 2-(3-phenylpropyl)-3-propyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-(3-phenylpropyl)-3-propyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-(3-phenylpropyl)-3-propyl-6-pyridin-4-ylpyrimidin-4-one is CCCn1c(CCCc2ccccc2)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 2-(3-phenylpropyl)-3-propyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is MIODWOLXLVZMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-2-15-24-20(10-6-9-17-7-4-3-5-8-17)23-19(16-21(24)25)18-11-13-22-14-12-18/h3-5,7-8,11-14,16H,2,6,9-10,15H2,1H3.
What are the key properties of 2-(3-phenylpropyl)-3-propyl-6-pyridin-4-ylpyrimidin-4-one?
2-(3-phenylpropyl)-3-propyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 333.44 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)-3-propyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 72725258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).