1-benzyl-2-(2,3-dimethylanilino)-5-fluoropyrimidin-4-one

C19H18FN3O — CID 134291025

IUPAC1-benzyl-2-(2,3-dimethylanilino)-5-fluoropyrimidin-4-one
SMILESCc1cccc(Nc2nc(=O)c(F)cn2Cc2ccccc2)c1C
InChIInChI=1S/C19H18FN3O/c1-13-7-6-10-17(14(13)2)21-19-22-18(24)16(20)12-23(19)11-15-8-4-3-5-9-15/h3-10,12H,11H2,1-2H3,(H,21,22,24)
InChIKeyHDRDPWTVLSZGBC-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.79
Rot. Bonds4

About 1-benzyl-2-(2,3-dimethylanilino)-5-fluoropyrimidin-4-one

1-benzyl-2-(2,3-dimethylanilino)-5-fluoropyrimidin-4-one (PubChem CID 134291025) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-benzyl-2-(2,3-dimethylanilino)-5-fluoropyrimidin-4-one.

Molecular Properties

Compound Name1-benzyl-2-(2,3-dimethylanilino)-5-fluoropyrimidin-4-one
PubChem CID134291025
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name1-benzyl-2-(2,3-dimethylanilino)-5-fluoropyrimidin-4-one
SMILESCc1cccc(Nc2nc(=O)c(F)cn2Cc2ccccc2)c1C
InChIInChI=1S/C19H18FN3O/c1-13-7-6-10-17(14(13)2)21-19-22-18(24)16(20)12-23(19)11-15-8-4-3-5-9-15/h3-10,12H,11H2,1-2H3,(H,21,22,24)
InChIKeyHDRDPWTVLSZGBC-UHFFFAOYSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-2-(2,3-dimethylanilino)-5-fluoropyrimidin-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 1-benzyl-2-(2,3-dimethylanilino)-5-fluoropyrimidin-4-one?
The IUPAC name of 1-benzyl-2-(2,3-dimethylanilino)-5-fluoropyrimidin-4-one (CID 134291025) is 1-benzyl-2-(2,3-dimethylanilino)-5-fluoropyrimidin-4-one.
What is the SMILES notation for 1-benzyl-2-(2,3-dimethylanilino)-5-fluoropyrimidin-4-one?
The canonical SMILES for 1-benzyl-2-(2,3-dimethylanilino)-5-fluoropyrimidin-4-one is Cc1cccc(Nc2nc(=O)c(F)cn2Cc2ccccc2)c1C.
What is the InChIKey of 1-benzyl-2-(2,3-dimethylanilino)-5-fluoropyrimidin-4-one?
The InChIKey is HDRDPWTVLSZGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-13-7-6-10-17(14(13)2)21-19-22-18(24)16(20)12-23(19)11-15-8-4-3-5-9-15/h3-10,12H,11H2,1-2H3,(H,21,22,24).
What are the key properties of 1-benzyl-2-(2,3-dimethylanilino)-5-fluoropyrimidin-4-one?
1-benzyl-2-(2,3-dimethylanilino)-5-fluoropyrimidin-4-one has a molecular weight of 323.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(2,3-dimethylanilino)-5-fluoropyrimidin-4-one is sourced from PubChem (CID 134291025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).