2-benzylsulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C15H16N2O2S — CID 2766500

IUPAC2-benzylsulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc(S(=O)(=O)Cc2ccccc2)nc2c1CCC2
InChIInChI=1S/C15H16N2O2S/c1-11-13-8-5-9-14(13)17-15(16-11)20(18,19)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3
InChIKeyAFZNBSKVEAVOPS-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.25
Rot. Bonds3

About 2-benzylsulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-benzylsulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 2766500) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-benzylsulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-benzylsulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID2766500
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-benzylsulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc(S(=O)(=O)Cc2ccccc2)nc2c1CCC2
InChIInChI=1S/C15H16N2O2S/c1-11-13-8-5-9-14(13)17-15(16-11)20(18,19)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3
InChIKeyAFZNBSKVEAVOPS-UHFFFAOYSA-N
XLogP2.25
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-6-(Toluene-4-Sulfonyl)-Pyrimidin-2-Ylamine
CID 2766290
2-[(4-Fluorobenzyl)sulfanyl]-4,6-dimethylpyrimidine
CID 823852
N,N-dimethyl-2-[(4-methylbenzyl)sulfonyl]-5,6,7,8-tetrahydro-4-quinazolinamine
CID 1480945
2-(Benzylsulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine
CID 967742
2-((2-Chlorobenzyl)sulfonyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine
CID 2766487
2-Methylsulfonyl-4-phenyl-6-(trifluoromethyl)pyrimidine
CID 3236803
2-{[2-(Benzylsulfonyl)ethyl]sulfanyl}-4,6-dimethylpyrimidine
CID 675677
2-[(1,1-Dioxido-1-benzothien-3-yl)thio]-4,6-dimethylpyrimidine
CID 705143
N,N-dimethyl-2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thio]ethanamine
CID 943582
4-methyl-2-[(4-methylphenyl)sulfonyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 1481078
2-[(2,4-dichlorophenyl)sulfonyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 1481079
3-chlorophenyl 4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl sulfone
CID 1484761

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-benzylsulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 2766500) is 2-benzylsulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-benzylsulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-benzylsulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1nc(S(=O)(=O)Cc2ccccc2)nc2c1CCC2.
What is the InChIKey of 2-benzylsulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is AFZNBSKVEAVOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-11-13-8-5-9-14(13)17-15(16-11)20(18,19)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3.
What are the key properties of 2-benzylsulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-benzylsulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 288.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 2766500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).