1-benzyl-5-methoxy-2-(2-methyl-5-pyrrolidin-1-ylanilino)pyrimidin-4-one

C23H26N4O2 — CID 134290830

IUPAC1-benzyl-5-methoxy-2-(2-methyl-5-pyrrolidin-1-ylanilino)pyrimidin-4-one
SMILESCOc1cn(Cc2ccccc2)c(Nc2cc(N3CCCC3)ccc2C)nc1=O
InChIInChI=1S/C23H26N4O2/c1-17-10-11-19(26-12-6-7-13-26)14-20(17)24-23-25-22(28)21(29-2)16-27(23)15-18-8-4-3-5-9-18/h3-5,8-11,14,16H,6-7,12-13,15H2,1-2H3,(H,24,25,28)
InChIKeyFARAGNQJOZCHBL-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.95
Rot. Bonds6

About 1-benzyl-5-methoxy-2-(2-methyl-5-pyrrolidin-1-ylanilino)pyrimidin-4-one

1-benzyl-5-methoxy-2-(2-methyl-5-pyrrolidin-1-ylanilino)pyrimidin-4-one (PubChem CID 134290830) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-benzyl-5-methoxy-2-(2-methyl-5-pyrrolidin-1-ylanilino)pyrimidin-4-one.

Molecular Properties

Compound Name1-benzyl-5-methoxy-2-(2-methyl-5-pyrrolidin-1-ylanilino)pyrimidin-4-one
PubChem CID134290830
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-benzyl-5-methoxy-2-(2-methyl-5-pyrrolidin-1-ylanilino)pyrimidin-4-one
SMILESCOc1cn(Cc2ccccc2)c(Nc2cc(N3CCCC3)ccc2C)nc1=O
InChIInChI=1S/C23H26N4O2/c1-17-10-11-19(26-12-6-7-13-26)14-20(17)24-23-25-22(28)21(29-2)16-27(23)15-18-8-4-3-5-9-18/h3-5,8-11,14,16H,6-7,12-13,15H2,1-2H3,(H,24,25,28)
InChIKeyFARAGNQJOZCHBL-UHFFFAOYSA-N
XLogP3.95
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-5-methoxy-2-(2-methyl-5-pyrrolidin-1-ylanilino)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

Related Compounds

1-Benzyl-2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-5-fluoropyrimidin-4-one
CID 134290215
2-(2,3-Dimethylanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290253
2-(2-Ethylanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290260
1-Benzyl-2-(3-fluoro-2-methylanilino)-5-methoxypyrimidin-4-one
CID 134290315
1-[(3,4-Difluorophenyl)methyl]-2-(2,3-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134290365
1-[(3-Chloro-4-fluorophenyl)methyl]-5-methoxy-2-[2-methyl-5-(2-oxopyrrolidin-1-yl)anilino]pyrimidin-4-one
CID 134290379
1-[(3,5-Difluorophenyl)methyl]-2-(4-fluoro-2,5-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134290392
1-Benzyl-2-(4,5-difluoro-2-methylanilino)-5-methoxypyrimidin-4-one
CID 134290394
1-[(3,5-Difluorophenyl)methyl]-2-(2,3-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134290398
2-(4-Fluoro-2,5-dimethylanilino)-1-[(3-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290438
1-[(3,5-Difluorophenyl)methyl]-2-(2,4-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134290451
1-[(3-Chloro-4-fluorophenyl)methyl]-2-[3-(dimethylamino)-2-methylanilino]-5-methoxypyrimidin-4-one
CID 134290460

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methoxy-2-(2-methyl-5-pyrrolidin-1-ylanilino)pyrimidin-4-one?
The IUPAC name of 1-benzyl-5-methoxy-2-(2-methyl-5-pyrrolidin-1-ylanilino)pyrimidin-4-one (CID 134290830) is 1-benzyl-5-methoxy-2-(2-methyl-5-pyrrolidin-1-ylanilino)pyrimidin-4-one.
What is the SMILES notation for 1-benzyl-5-methoxy-2-(2-methyl-5-pyrrolidin-1-ylanilino)pyrimidin-4-one?
The canonical SMILES for 1-benzyl-5-methoxy-2-(2-methyl-5-pyrrolidin-1-ylanilino)pyrimidin-4-one is COc1cn(Cc2ccccc2)c(Nc2cc(N3CCCC3)ccc2C)nc1=O.
What is the InChIKey of 1-benzyl-5-methoxy-2-(2-methyl-5-pyrrolidin-1-ylanilino)pyrimidin-4-one?
The InChIKey is FARAGNQJOZCHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-10-11-19(26-12-6-7-13-26)14-20(17)24-23-25-22(28)21(29-2)16-27(23)15-18-8-4-3-5-9-18/h3-5,8-11,14,16H,6-7,12-13,15H2,1-2H3,(H,24,25,28).
What are the key properties of 1-benzyl-5-methoxy-2-(2-methyl-5-pyrrolidin-1-ylanilino)pyrimidin-4-one?
1-benzyl-5-methoxy-2-(2-methyl-5-pyrrolidin-1-ylanilino)pyrimidin-4-one has a molecular weight of 390.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methoxy-2-(2-methyl-5-pyrrolidin-1-ylanilino)pyrimidin-4-one is sourced from PubChem (CID 134290830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).