3,6-dimethyl-1-phenyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-dione

C20H22N4O4S2 — CID 20933009

IUPAC3,6-dimethyl-1-phenyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-dione
SMILESCc1c(N2CCN(S(=O)(=O)c3cccs3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1
InChIInChI=1S/C20H22N4O4S2/c1-15-18(19(25)21(2)20(26)24(15)16-7-4-3-5-8-16)22-10-12-23(13-11-22)30(27,28)17-9-6-14-29-17/h3-9,14H,10-13H2,1-2H3
InChIKeyVQQSMNXZNZUAFQ-UHFFFAOYSA-N
MW446.55 g/mol
LogP1.42
Rot. Bonds4

About 3,6-dimethyl-1-phenyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-dione

3,6-dimethyl-1-phenyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-dione (PubChem CID 20933009) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 3,6-dimethyl-1-phenyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,6-dimethyl-1-phenyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-dione
PubChem CID20933009
Molecular FormulaC20H22N4O4S2
Molecular Weight446.55 g/mol
Exact Mass446.11
IUPAC Name3,6-dimethyl-1-phenyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-dione
SMILESCc1c(N2CCN(S(=O)(=O)c3cccs3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1
InChIInChI=1S/C20H22N4O4S2/c1-15-18(19(25)21(2)20(26)24(15)16-7-4-3-5-8-16)22-10-12-23(13-11-22)30(27,28)17-9-6-14-29-17/h3-9,14H,10-13H2,1-2H3
InChIKeyVQQSMNXZNZUAFQ-UHFFFAOYSA-N
XLogP1.42
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3,6-dimethyl-5-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrimidine-2,4-dione
CID 20933006
5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
CID 20933012
3,6-dimethyl-1-phenyl-5-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pyrimidine-2,4-dione
CID 20933013
1-(2-methyl-6-propan-2-ylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 113076455
1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 113075857
4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline
CID 9161620
N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline
CID 113078798
N-cyclopropyl-1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide
CID 50781728
1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 52997928
1-thiophen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684932
1-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 51169067
1-thiophen-2-ylsulfonylpiperidine
CID 765823

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-phenyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-dione?
The IUPAC name of 3,6-dimethyl-1-phenyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-dione (CID 20933009) is 3,6-dimethyl-1-phenyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 3,6-dimethyl-1-phenyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-dione?
The canonical SMILES for 3,6-dimethyl-1-phenyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-dione is Cc1c(N2CCN(S(=O)(=O)c3cccs3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1.
What is the InChIKey of 3,6-dimethyl-1-phenyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-dione?
The InChIKey is VQQSMNXZNZUAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S2/c1-15-18(19(25)21(2)20(26)24(15)16-7-4-3-5-8-16)22-10-12-23(13-11-22)30(27,28)17-9-6-14-29-17/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 3,6-dimethyl-1-phenyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-dione?
3,6-dimethyl-1-phenyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-dione has a molecular weight of 446.55 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-phenyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 20933009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).