1-[(3-fluorophenyl)methyl]-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]pyrrolidin-2-one

C19H23FN4O — CID 56895420

IUPAC1-[(3-fluorophenyl)methyl]-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCCCc1nc(C)cc(NC2CC(=O)N(Cc3cccc(F)c3)C2)n1
InChIInChI=1S/C19H23FN4O/c1-3-5-17-21-13(2)8-18(23-17)22-16-10-19(25)24(12-16)11-14-6-4-7-15(20)9-14/h4,6-9,16H,3,5,10-12H2,1-2H3,(H,21,22,23)
InChIKeyPTHLENPEKCMPEG-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.09
Rot. Bonds6

About 1-[(3-fluorophenyl)methyl]-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]pyrrolidin-2-one

1-[(3-fluorophenyl)methyl]-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 56895420) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID56895420
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name1-[(3-fluorophenyl)methyl]-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCCCc1nc(C)cc(NC2CC(=O)N(Cc3cccc(F)c3)C2)n1
InChIInChI=1S/C19H23FN4O/c1-3-5-17-21-13(2)8-18(23-17)22-16-10-19(25)24(12-16)11-14-6-4-7-15(20)9-14/h4,6-9,16H,3,5,10-12H2,1-2H3,(H,21,22,23)
InChIKeyPTHLENPEKCMPEG-UHFFFAOYSA-N
XLogP3.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-fluorophenyl)methyl]-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8M7Ewm4fye
CID 72188645
N-(2,6-diphenylpyrimidin-4-yl)butyramide
CID 11359018
2-((1R,2S)-2-Aminocyclohexylamino)-4-(m-tolylamino)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one
CID 53251797
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (3-trifluoromethyl-phenyl)-amide
CID 655169
2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3-p-tolyl-3,5-dihydro-imidazol-4-one
CID 915125
N-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223222
1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 3224241
1-[(4-methylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 16573437
1-benzyl-N-(6-methylpyridin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 24687433
1-(6-Methyl-2-phenyl-pyrimidin-4-yl)-piperidine-4-carboxylic acid amide
CID 1448091
Propanamide, 2-[[3-[2-cyano-6-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]propyl]amino]-2-methyl-
CID 11710873
(R)-N4-benzyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 16061844

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]pyrrolidin-2-one (CID 56895420) is 1-[(3-fluorophenyl)methyl]-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]pyrrolidin-2-one is CCCc1nc(C)cc(NC2CC(=O)N(Cc3cccc(F)c3)C2)n1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is PTHLENPEKCMPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-3-5-17-21-13(2)8-18(23-17)22-16-10-19(25)24(12-16)11-14-6-4-7-15(20)9-14/h4,6-9,16H,3,5,10-12H2,1-2H3,(H,21,22,23).
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]pyrrolidin-2-one?
1-[(3-fluorophenyl)methyl]-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 342.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 56895420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).