2-(4-fluorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]pyrimidin-4-one

C21H21FN2O2 — CID 91912010

IUPAC2-(4-fluorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]pyrimidin-4-one
SMILESCc1ccc(Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)cc1
InChIInChI=1S/C21H21FN2O2/c1-14-3-5-16(6-4-14)13-24-20(17-7-9-18(22)10-8-17)23-15(2)19(11-12-25)21(24)26/h3-10,25H,11-13H2,1-2H3
InChIKeyUNLWMEIWKAYOGD-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.25
Rot. Bonds5

About 2-(4-fluorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]pyrimidin-4-one

2-(4-fluorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]pyrimidin-4-one (PubChem CID 91912010) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]pyrimidin-4-one
PubChem CID91912010
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name2-(4-fluorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]pyrimidin-4-one
SMILESCc1ccc(Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)cc1
InChIInChI=1S/C21H21FN2O2/c1-14-3-5-16(6-4-14)13-24-20(17-7-9-18(22)10-8-17)23-15(2)19(11-12-25)21(24)26/h3-10,25H,11-13H2,1-2H3
InChIKeyUNLWMEIWKAYOGD-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]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-(4-fluorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]pyrimidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]pyrimidin-4-one (CID 91912010) is 2-(4-fluorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]pyrimidin-4-one is Cc1ccc(Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]pyrimidin-4-one?
The InChIKey is UNLWMEIWKAYOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-14-3-5-16(6-4-14)13-24-20(17-7-9-18(22)10-8-17)23-15(2)19(11-12-25)21(24)26/h3-10,25H,11-13H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]pyrimidin-4-one?
2-(4-fluorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]pyrimidin-4-one has a molecular weight of 352.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 91912010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).