1-benzyl-5-methyl-3-[(E)-3-pyrrolidin-1-ylprop-2-enyl]pyrimidine-2,4-dione

C19H23N3O2 — CID 10758439

IUPAC1-benzyl-5-methyl-3-[(E)-3-pyrrolidin-1-ylprop-2-enyl]pyrimidine-2,4-dione
SMILESCc1cn(Cc2ccccc2)c(=O)n(C/C=C/N2CCCC2)c1=O
InChIInChI=1S/C19H23N3O2/c1-16-14-21(15-17-8-3-2-4-9-17)19(24)22(18(16)23)13-7-12-20-10-5-6-11-20/h2-4,7-9,12,14H,5-6,10-11,13,15H2,1H3/b12-7+
InChIKeyUEMKHYMEVGYOHZ-KPKJPENVSA-N
MW325.41 g/mol
LogP1.98
Rot. Bonds5

About 1-benzyl-5-methyl-3-[(E)-3-pyrrolidin-1-ylprop-2-enyl]pyrimidine-2,4-dione

1-benzyl-5-methyl-3-[(E)-3-pyrrolidin-1-ylprop-2-enyl]pyrimidine-2,4-dione (PubChem CID 10758439) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-benzyl-5-methyl-3-[(E)-3-pyrrolidin-1-ylprop-2-enyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5-methyl-3-[(E)-3-pyrrolidin-1-ylprop-2-enyl]pyrimidine-2,4-dione
PubChem CID10758439
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-benzyl-5-methyl-3-[(E)-3-pyrrolidin-1-ylprop-2-enyl]pyrimidine-2,4-dione
SMILESCc1cn(Cc2ccccc2)c(=O)n(C/C=C/N2CCCC2)c1=O
InChIInChI=1S/C19H23N3O2/c1-16-14-21(15-17-8-3-2-4-9-17)19(24)22(18(16)23)13-7-12-20-10-5-6-11-20/h2-4,7-9,12,14H,5-6,10-11,13,15H2,1H3/b12-7+
InChIKeyUEMKHYMEVGYOHZ-KPKJPENVSA-N
XLogP1.98
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-5-methyl-3-[(E)-3-pyrrolidin-1-ylprop-2-enyl]pyrimidine-2,4-dione 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

3-(3-benzyl-5-methyl-2,6-dioxopyrimidin-1-yl)propanal
CID 10540108
1-[(3-benzyl-5-methyl-2,6-dioxopyrimidin-1-yl)methyl]cyclopropane-1-carboxylic acid
CID 54554001
2-benzyl-4-methyl-5,6,7,8-tetrahydroisoquinolin-1-one
CID 123599433
3-benzyl-5-methyl-1-(2-phenoxyethyl)pyrimidine-2,4-dione
CID 5302093
ethyl 4-[(3-benzyl-5-methyl-2,6-dioxopyrimidin-1-yl)methyl]-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole-3-carboxylate
CID 10622963
5-methyl-1,3-bis[[4-(oxiran-2-yl)phenyl]methyl]pyrimidine-2,4-dione
CID 142750900
1,3-dibenzyl-5-[(1,3-dibenzyl-2,4-dioxopyrimidin-5-yl)methyl]pyrimidine-2,4-dione
CID 10188830
1-benzyl-3-methylindole;ethane
CID 145343697
1-benzyl-3-[(E)-but-2-enyl]-4-[3-(4-hydroxycyclohepta-1,3,6-trien-1-yl)propyl]imidazol-2-one
CID 142249836
1,3-dibenzyl-4-[(E)-3-hydroxyprop-1-enyl]imidazol-2-one
CID 11324666
1-benzyl-3-[2,2-dimethyl-3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-5-methylpyrimidine-2,4-dione
CID 70201499
1-benzyl-3-methyl-5-(trifluoromethyl)pyridin-2-one
CID 90078397

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methyl-3-[(E)-3-pyrrolidin-1-ylprop-2-enyl]pyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-5-methyl-3-[(E)-3-pyrrolidin-1-ylprop-2-enyl]pyrimidine-2,4-dione (CID 10758439) is 1-benzyl-5-methyl-3-[(E)-3-pyrrolidin-1-ylprop-2-enyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5-methyl-3-[(E)-3-pyrrolidin-1-ylprop-2-enyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-5-methyl-3-[(E)-3-pyrrolidin-1-ylprop-2-enyl]pyrimidine-2,4-dione is Cc1cn(Cc2ccccc2)c(=O)n(C/C=C/N2CCCC2)c1=O.
What is the InChIKey of 1-benzyl-5-methyl-3-[(E)-3-pyrrolidin-1-ylprop-2-enyl]pyrimidine-2,4-dione?
The InChIKey is UEMKHYMEVGYOHZ-KPKJPENVSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-16-14-21(15-17-8-3-2-4-9-17)19(24)22(18(16)23)13-7-12-20-10-5-6-11-20/h2-4,7-9,12,14H,5-6,10-11,13,15H2,1H3/b12-7+.
What are the key properties of 1-benzyl-5-methyl-3-[(E)-3-pyrrolidin-1-ylprop-2-enyl]pyrimidine-2,4-dione?
1-benzyl-5-methyl-3-[(E)-3-pyrrolidin-1-ylprop-2-enyl]pyrimidine-2,4-dione has a molecular weight of 325.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methyl-3-[(E)-3-pyrrolidin-1-ylprop-2-enyl]pyrimidine-2,4-dione is sourced from PubChem (CID 10758439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).