5-(4-benzylsulfonylpiperazin-1-yl)-3,6-dimethyl-1-phenylpyrimidine-2,4-dione

C23H26N4O4S — CID 20933008

IUPAC5-(4-benzylsulfonylpiperazin-1-yl)-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
SMILESCc1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1
InChIInChI=1S/C23H26N4O4S/c1-18-21(22(28)24(2)23(29)27(18)20-11-7-4-8-12-20)25-13-15-26(16-14-25)32(30,31)17-19-9-5-3-6-10-19/h3-12H,13-17H2,1-2H3
InChIKeyRUVDINFNRYBTMJ-UHFFFAOYSA-N
MW454.55 g/mol
LogP1.50
Rot. Bonds5

About 5-(4-benzylsulfonylpiperazin-1-yl)-3,6-dimethyl-1-phenylpyrimidine-2,4-dione

5-(4-benzylsulfonylpiperazin-1-yl)-3,6-dimethyl-1-phenylpyrimidine-2,4-dione (PubChem CID 20933008) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 5-(4-benzylsulfonylpiperazin-1-yl)-3,6-dimethyl-1-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-benzylsulfonylpiperazin-1-yl)-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
PubChem CID20933008
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name5-(4-benzylsulfonylpiperazin-1-yl)-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
SMILESCc1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1
InChIInChI=1S/C23H26N4O4S/c1-18-21(22(28)24(2)23(29)27(18)20-11-7-4-8-12-20)25-13-15-26(16-14-25)32(30,31)17-19-9-5-3-6-10-19/h3-12H,13-17H2,1-2H3
InChIKeyRUVDINFNRYBTMJ-UHFFFAOYSA-N
XLogP1.50
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,6-dimethyl-5-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrimidine-2,4-dione
CID 20933006
3,6-dimethyl-1-phenyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-dione
CID 20933009
3,6-dimethyl-1-phenyl-5-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pyrimidine-2,4-dione
CID 20933013
5-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
CID 46324292
1-benzylsulfonyl-4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazine
CID 126812465
N-cyclopropyl-1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide
CID 50781728
3-(4-benzylsulfonylpiperazin-1-yl)phenol
CID 75402119
1-(1-benzylsulfonylpiperidin-4-yl)-4-phenylpiperazin-1-ium
CID 7325650
5-(4-benzylsulfonylpiperazin-1-yl)-4,6-bis(2-ethoxyethoxy)-2-phenylpyridazin-3-one
CID 54585683
1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine
CID 669263
4-benzylsulfonylpiperazine-1-carbaldehyde
CID 3750884
4-(4-benzylsulfonylpiperazin-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56922983

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylsulfonylpiperazin-1-yl)-3,6-dimethyl-1-phenylpyrimidine-2,4-dione?
The IUPAC name of 5-(4-benzylsulfonylpiperazin-1-yl)-3,6-dimethyl-1-phenylpyrimidine-2,4-dione (CID 20933008) is 5-(4-benzylsulfonylpiperazin-1-yl)-3,6-dimethyl-1-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-benzylsulfonylpiperazin-1-yl)-3,6-dimethyl-1-phenylpyrimidine-2,4-dione?
The canonical SMILES for 5-(4-benzylsulfonylpiperazin-1-yl)-3,6-dimethyl-1-phenylpyrimidine-2,4-dione is Cc1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1.
What is the InChIKey of 5-(4-benzylsulfonylpiperazin-1-yl)-3,6-dimethyl-1-phenylpyrimidine-2,4-dione?
The InChIKey is RUVDINFNRYBTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-18-21(22(28)24(2)23(29)27(18)20-11-7-4-8-12-20)25-13-15-26(16-14-25)32(30,31)17-19-9-5-3-6-10-19/h3-12H,13-17H2,1-2H3.
What are the key properties of 5-(4-benzylsulfonylpiperazin-1-yl)-3,6-dimethyl-1-phenylpyrimidine-2,4-dione?
5-(4-benzylsulfonylpiperazin-1-yl)-3,6-dimethyl-1-phenylpyrimidine-2,4-dione has a molecular weight of 454.55 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylsulfonylpiperazin-1-yl)-3,6-dimethyl-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 20933008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).