4-methyl-2-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C15H16N2O2S — CID 1481078

IUPAC4-methyl-2-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1ccc(S(=O)(=O)c2nc(C)c3c(n2)CCC3)cc1
InChIInChI=1S/C15H16N2O2S/c1-10-6-8-12(9-7-10)20(18,19)15-16-11(2)13-4-3-5-14(13)17-15/h6-9H,3-5H2,1-2H3
InChIKeyPKTWTIUQGLTAOA-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.41
Rot. Bonds2

About 4-methyl-2-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-methyl-2-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 1481078) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-methyl-2-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID1481078
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name4-methyl-2-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1ccc(S(=O)(=O)c2nc(C)c3c(n2)CCC3)cc1
InChIInChI=1S/C15H16N2O2S/c1-10-6-8-12(9-7-10)20(18,19)15-16-11(2)13-4-3-5-14(13)17-15/h6-9H,3-5H2,1-2H3
InChIKeyPKTWTIUQGLTAOA-UHFFFAOYSA-N
XLogP2.41
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-methyl-2-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 1481078) is 4-methyl-2-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-methyl-2-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-methyl-2-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1ccc(S(=O)(=O)c2nc(C)c3c(n2)CCC3)cc1.
What is the InChIKey of 4-methyl-2-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is PKTWTIUQGLTAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-6-8-12(9-7-10)20(18,19)15-16-11(2)13-4-3-5-14(13)17-15/h6-9H,3-5H2,1-2H3.
What are the key properties of 4-methyl-2-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-methyl-2-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 288.37 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 1481078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).