6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-ethylpyrimidine-2,4-dione

C25H29N5O5S — CID 2466927

IUPAC6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-ethylpyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C25H29N5O5S/c1-2-29-24(32)22(23(26)30(25(29)33)17-19-9-5-3-6-10-19)21(31)18-27-13-15-28(16-14-27)36(34,35)20-11-7-4-8-12-20/h3-12H,2,13-18,26H2,1H3
InChIKeyCQGBYNVRSPBSNR-UHFFFAOYSA-N
MW511.60 g/mol
LogP0.85
Rot. Bonds8

About 6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-ethylpyrimidine-2,4-dione

6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-ethylpyrimidine-2,4-dione (PubChem CID 2466927) has the molecular formula C25H29N5O5S and a molecular weight of 511.60 g/mol. Its IUPAC name is 6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-ethylpyrimidine-2,4-dione
PubChem CID2466927
Molecular FormulaC25H29N5O5S
Molecular Weight511.60 g/mol
Exact Mass511.19
IUPAC Name6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-ethylpyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C25H29N5O5S/c1-2-29-24(32)22(23(26)30(25(29)33)17-19-9-5-3-6-10-19)21(31)18-27-13-15-28(16-14-27)36(34,35)20-11-7-4-8-12-20/h3-12H,2,13-18,26H2,1H3
InChIKeyCQGBYNVRSPBSNR-UHFFFAOYSA-N
XLogP0.85
TPSA127.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.60
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-ethylpyrimidine-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

N-(6-Amino-1-Benzyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)-4-Fluoro-N-Methylbenzenesulfonamide
CID 66553090
N-(6-Amino-1-Benzyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)-N-Methylbenzenesulfonamide
CID 66553086
N-benzyl-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 162668326
N-(6-Amino-1-Benzyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)-N,3-Dimethylbenzenesulfonamide
CID 66553091
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethylbenzenesulfonamide
CID 71463473
N-(benzylcarbamoyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2997535
6-Amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-methylpyrimidine-2,4-dione
CID 4001122
6-Amino-1-benzyl-3-methyl-5-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetyl]pyrimidine-2,4-dione
CID 4271122
3-[(2R)-2-amino-2-phenylethyl]-5-[4-(benzenesulfonyl)piperazin-1-yl]-1-[(2,6-difluorophenyl)methyl]-6-methylpyrimidine-2,4-dione
CID 67143752
N-(6-Amino-1-Benzyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)benzenesulfonamide
CID 66553087
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 4831516
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 4840659

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-ethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-ethylpyrimidine-2,4-dione (CID 2466927) is 6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-ethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-ethylpyrimidine-2,4-dione is CCn1c(=O)c(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(N)n(Cc2ccccc2)c1=O.
What is the InChIKey of 6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-ethylpyrimidine-2,4-dione?
The InChIKey is CQGBYNVRSPBSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O5S/c1-2-29-24(32)22(23(26)30(25(29)33)17-19-9-5-3-6-10-19)21(31)18-27-13-15-28(16-14-27)36(34,35)20-11-7-4-8-12-20/h3-12H,2,13-18,26H2,1H3.
What are the key properties of 6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-ethylpyrimidine-2,4-dione?
6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-ethylpyrimidine-2,4-dione has a molecular weight of 511.60 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 2466927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).