5-(3,4-dimethoxyphenyl)-4-phenyl-2-propyl-1H-pyrimidin-6-one

C21H22N2O3 — CID 135438750

IUPAC5-(3,4-dimethoxyphenyl)-4-phenyl-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2ccccc2)c(-c2ccc(OC)c(OC)c2)c(=O)[nH]1
InChIInChI=1S/C21H22N2O3/c1-4-8-18-22-20(14-9-6-5-7-10-14)19(21(24)23-18)15-11-12-16(25-2)17(13-15)26-3/h5-7,9-13H,4,8H2,1-3H3,(H,22,23,24)
InChIKeyXLGILDFGABYSFY-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.07
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)-4-phenyl-2-propyl-1H-pyrimidin-6-one

5-(3,4-dimethoxyphenyl)-4-phenyl-2-propyl-1H-pyrimidin-6-one (PubChem CID 135438750) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-phenyl-2-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-phenyl-2-propyl-1H-pyrimidin-6-one
PubChem CID135438750
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name5-(3,4-dimethoxyphenyl)-4-phenyl-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2ccccc2)c(-c2ccc(OC)c(OC)c2)c(=O)[nH]1
InChIInChI=1S/C21H22N2O3/c1-4-8-18-22-20(14-9-6-5-7-10-14)19(21(24)23-18)15-11-12-16(25-2)17(13-15)26-3/h5-7,9-13H,4,8H2,1-3H3,(H,22,23,24)
InChIKeyXLGILDFGABYSFY-UHFFFAOYSA-N
XLogP4.07
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3,4-dimethoxyphenyl)-4-phenyl-2-propyl-1H-pyrimidin-6-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 5-(3,4-dimethoxyphenyl)-4-phenyl-2-propyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-phenyl-2-propyl-1H-pyrimidin-6-one (CID 135438750) is 5-(3,4-dimethoxyphenyl)-4-phenyl-2-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-phenyl-2-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-phenyl-2-propyl-1H-pyrimidin-6-one is CCCc1nc(-c2ccccc2)c(-c2ccc(OC)c(OC)c2)c(=O)[nH]1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-phenyl-2-propyl-1H-pyrimidin-6-one?
The InChIKey is XLGILDFGABYSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-8-18-22-20(14-9-6-5-7-10-14)19(21(24)23-18)15-11-12-16(25-2)17(13-15)26-3/h5-7,9-13H,4,8H2,1-3H3,(H,22,23,24).
What are the key properties of 5-(3,4-dimethoxyphenyl)-4-phenyl-2-propyl-1H-pyrimidin-6-one?
5-(3,4-dimethoxyphenyl)-4-phenyl-2-propyl-1H-pyrimidin-6-one has a molecular weight of 350.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-4-phenyl-2-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135438750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).