1,3-dimethyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrimidine-2,4-dione

C17H22N4O4S — CID 27305949

IUPAC1,3-dimethyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrimidine-2,4-dione
SMILESCc1cccc(N2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)c1
InChIInChI=1S/C17H22N4O4S/c1-13-5-4-6-14(11-13)20-7-9-21(10-8-20)26(24,25)15-12-18(2)17(23)19(3)16(15)22/h4-6,11-12H,7-10H2,1-3H3
InChIKeyDYXDYFCSSBYBLS-UHFFFAOYSA-N
MW378.45 g/mol
LogP-0.10
Rot. Bonds3

About 1,3-dimethyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrimidine-2,4-dione

1,3-dimethyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrimidine-2,4-dione (PubChem CID 27305949) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 1,3-dimethyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrimidine-2,4-dione
PubChem CID27305949
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name1,3-dimethyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrimidine-2,4-dione
SMILESCc1cccc(N2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)c1
InChIInChI=1S/C17H22N4O4S/c1-13-5-4-6-14(11-13)20-7-9-21(10-8-20)26(24,25)15-12-18(2)17(23)19(3)16(15)22/h4-6,11-12H,7-10H2,1-3H3
InChIKeyDYXDYFCSSBYBLS-UHFFFAOYSA-N
XLogP-0.10
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 32680669
1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 27305897
2,4-dichloro-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonylphenol
CID 3598660
1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 110705779
methyl 2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzoate
CID 51263564
1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine
CID 113075282
3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 53076897
1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 112823078
1-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one
CID 110383201
1-[4-[4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 22695534
8-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-1-one
CID 53182837
1-(2-methoxy-5-nitrophenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 51263569

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrimidine-2,4-dione (CID 27305949) is 1,3-dimethyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrimidine-2,4-dione is Cc1cccc(N2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)c1.
What is the InChIKey of 1,3-dimethyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrimidine-2,4-dione?
The InChIKey is DYXDYFCSSBYBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-13-5-4-6-14(11-13)20-7-9-21(10-8-20)26(24,25)15-12-18(2)17(23)19(3)16(15)22/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrimidine-2,4-dione?
1,3-dimethyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrimidine-2,4-dione has a molecular weight of 378.45 g/mol, XLogP of -0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrimidine-2,4-dione is sourced from PubChem (CID 27305949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).