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

C24H27N5O5S — CID 4001122

IUPAC6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)c(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C24H27N5O5S/c1-26-23(31)21(22(25)29(24(26)32)16-18-8-4-2-5-9-18)20(30)17-27-12-14-28(15-13-27)35(33,34)19-10-6-3-7-11-19/h2-11H,12-17,25H2,1H3
InChIKeyUDMRDYJPUGQHIY-UHFFFAOYSA-N
MW497.58 g/mol
LogP0.37
Rot. Bonds7

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

6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-methylpyrimidine-2,4-dione (PubChem CID 4001122) has the molecular formula C24H27N5O5S and a molecular weight of 497.58 g/mol. Its IUPAC name is 6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-methylpyrimidine-2,4-dione
PubChem CID4001122
Molecular FormulaC24H27N5O5S
Molecular Weight497.58 g/mol
Exact Mass497.17
IUPAC Name6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)c(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C24H27N5O5S/c1-26-23(31)21(22(25)29(24(26)32)16-18-8-4-2-5-9-18)20(30)17-27-12-14-28(15-13-27)35(33,34)19-10-6-3-7-11-19/h2-11H,12-17,25H2,1H3
InChIKeyUDMRDYJPUGQHIY-UHFFFAOYSA-N
XLogP0.37
TPSA127.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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
6-Amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-ethylpyrimidine-2,4-dione
CID 2466927
N-(benzylcarbamoyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2997535
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-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-methylpyrimidine-2,4-dione (CID 4001122) is 6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-methylpyrimidine-2,4-dione is Cn1c(=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-methylpyrimidine-2,4-dione?
The InChIKey is UDMRDYJPUGQHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O5S/c1-26-23(31)21(22(25)29(24(26)32)16-18-8-4-2-5-9-18)20(30)17-27-12-14-28(15-13-27)35(33,34)19-10-6-3-7-11-19/h2-11H,12-17,25H2,1H3.
What are the key properties of 6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-methylpyrimidine-2,4-dione?
6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-methylpyrimidine-2,4-dione has a molecular weight of 497.58 g/mol, XLogP of 0.37, 7 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-methylpyrimidine-2,4-dione is sourced from PubChem (CID 4001122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).