4-(2,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one

C17H19N3O2 — CID 110332406

IUPAC4-(2,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCc1ccc(C)c(-c2cc(C(=O)N3CCCC3)[nH]c(=O)n2)c1
InChIInChI=1S/C17H19N3O2/c1-11-5-6-12(2)13(9-11)14-10-15(19-17(22)18-14)16(21)20-7-3-4-8-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19,22)
InChIKeyJFNYGBBWPGAXII-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.29
Rot. Bonds2

About 4-(2,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one

4-(2,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one (PubChem CID 110332406) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one
PubChem CID110332406
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-(2,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCc1ccc(C)c(-c2cc(C(=O)N3CCCC3)[nH]c(=O)n2)c1
InChIInChI=1S/C17H19N3O2/c1-11-5-6-12(2)13(9-11)14-10-15(19-17(22)18-14)16(21)20-7-3-4-8-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19,22)
InChIKeyJFNYGBBWPGAXII-UHFFFAOYSA-N
XLogP2.29
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-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

ethyl 4-[4-(2,5-dimethylphenyl)-2-oxo-1H-pyrimidine-6-carbonyl]piperazine-1-carboxylate
CID 110332427
4-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332158
4-(4-chlorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332289
4-[4-(3,4-dimethylphenyl)-2-oxo-1H-pyrimidine-6-carbonyl]piperazine-1-carbaldehyde
CID 110332553
6-(4-methylpiperazine-1-carbonyl)-4-phenyl-1H-pyrimidin-2-one
CID 110332074
4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
CID 110295361
ethyl 4-[4-(4-chlorophenyl)-2-oxo-1H-pyrimidine-6-carbonyl]piperazine-1-carboxylate
CID 110332311
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
[2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 899152
[1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 4320538
1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
CID 55559402
4-(3-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332379

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(2,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one (CID 110332406) is 4-(2,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(2,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one is Cc1ccc(C)c(-c2cc(C(=O)N3CCCC3)[nH]c(=O)n2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one?
The InChIKey is JFNYGBBWPGAXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-5-6-12(2)13(9-11)14-10-15(19-17(22)18-14)16(21)20-7-3-4-8-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19,22).
What are the key properties of 4-(2,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one?
4-(2,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one has a molecular weight of 297.36 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 110332406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).