5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione

C24H28N4O4S — CID 20933012

IUPAC5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
SMILESCc1ccc(S(=O)(=O)N2CCN(c3c(C)n(-c4ccccc4)c(=O)n(C)c3=O)CC2)cc1C
InChIInChI=1S/C24H28N4O4S/c1-17-10-11-21(16-18(17)2)33(31,32)27-14-12-26(13-15-27)22-19(3)28(20-8-6-5-7-9-20)24(30)25(4)23(22)29/h5-11,16H,12-15H2,1-4H3
InChIKeyATOYWEQKXSTGNC-UHFFFAOYSA-N
MW468.58 g/mol
LogP1.97
Rot. Bonds4

About 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione

5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione (PubChem CID 20933012) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
PubChem CID20933012
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
SMILESCc1ccc(S(=O)(=O)N2CCN(c3c(C)n(-c4ccccc4)c(=O)n(C)c3=O)CC2)cc1C
InChIInChI=1S/C24H28N4O4S/c1-17-10-11-21(16-18(17)2)33(31,32)27-14-12-26(13-15-27)22-19(3)28(20-8-6-5-7-9-20)24(30)25(4)23(22)29/h5-11,16H,12-15H2,1-4H3
InChIKeyATOYWEQKXSTGNC-UHFFFAOYSA-N
XLogP1.97
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 51.97
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-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pyrimidine-2,4-dione
CID 20933013
3,6-dimethyl-1-phenyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-dione
CID 20933009
1-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1261021
3,6-dimethyl-1-phenyl-5-(4-propanoylpiperazin-1-yl)pyrimidine-2,4-dione
CID 46324313
1-(3,4-dimethylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine
CID 113076142
2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid
CID 45466358
6-[4-(3,4-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one
CID 46335127
4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine
CID 82305650
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 2478081
1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 113075942
2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 1216990

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione?
The IUPAC name of 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione (CID 20933012) is 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione is Cc1ccc(S(=O)(=O)N2CCN(c3c(C)n(-c4ccccc4)c(=O)n(C)c3=O)CC2)cc1C.
What is the InChIKey of 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione?
The InChIKey is ATOYWEQKXSTGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-17-10-11-21(16-18(17)2)33(31,32)27-14-12-26(13-15-27)22-19(3)28(20-8-6-5-7-9-20)24(30)25(4)23(22)29/h5-11,16H,12-15H2,1-4H3.
What are the key properties of 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione?
5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione has a molecular weight of 468.58 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 20933012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).