1,3-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrimidine-2,4-dione

C17H25N5O4 — CID 74243050

IUPAC1,3-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrimidine-2,4-dione
SMILESCn1c(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H25N5O4/c1-18-13(11-14(23)19(2)17(18)26)16(25)22-9-7-20(8-10-22)12-15(24)21-5-3-4-6-21/h11H,3-10,12H2,1-2H3
InChIKeyKSLJDRXJDPUPNH-UHFFFAOYSA-N
MW363.42 g/mol
LogP-1.54
Rot. Bonds3

About 1,3-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrimidine-2,4-dione (PubChem CID 74243050) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1,3-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrimidine-2,4-dione
PubChem CID74243050
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Name1,3-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrimidine-2,4-dione
SMILESCn1c(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H25N5O4/c1-18-13(11-14(23)19(2)17(18)26)16(25)22-9-7-20(8-10-22)12-15(24)21-5-3-4-6-21/h11H,3-10,12H2,1-2H3
InChIKeyKSLJDRXJDPUPNH-UHFFFAOYSA-N
XLogP-1.54
TPSA87.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 5-1.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]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

2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 87021241
2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 120640613
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid
CID 22047729
2-[4-(4-fluoro-3-methylbenzoyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 56825777
4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide
CID 32693348
1-(azepan-1-yl)-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]ethanone
CID 35610437
6-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 25498346
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 20613836
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrimidine-2,4-dione (CID 74243050) is 1,3-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrimidine-2,4-dione is Cn1c(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrimidine-2,4-dione?
The InChIKey is KSLJDRXJDPUPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-18-13(11-14(23)19(2)17(18)26)16(25)22-9-7-20(8-10-22)12-15(24)21-5-3-4-6-21/h11H,3-10,12H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrimidine-2,4-dione has a molecular weight of 363.42 g/mol, XLogP of -1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrimidine-2,4-dione is sourced from PubChem (CID 74243050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).