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

C15H15ClN2O2S — CID 2766486

IUPAC2-[(4-chlorophenyl)methylsulfonyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc(S(=O)(=O)Cc2ccc(Cl)cc2)nc2c1CCC2
InChIInChI=1S/C15H15ClN2O2S/c1-10-13-3-2-4-14(13)18-15(17-10)21(19,20)9-11-5-7-12(16)8-6-11/h5-8H,2-4,9H2,1H3
InChIKeyARZCVPHPFMSZAJ-UHFFFAOYSA-N
MW322.82 g/mol
LogP2.90
Rot. Bonds3

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

2-[(4-chlorophenyl)methylsulfonyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 2766486) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID2766486
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name2-[(4-chlorophenyl)methylsulfonyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc(S(=O)(=O)Cc2ccc(Cl)cc2)nc2c1CCC2
InChIInChI=1S/C15H15ClN2O2S/c1-10-13-3-2-4-14(13)18-15(17-10)21(19,20)9-11-5-7-12(16)8-6-11/h5-8H,2-4,9H2,1H3
InChIKeyARZCVPHPFMSZAJ-UHFFFAOYSA-N
XLogP2.90
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Chloro-benzylsulfanyl)-4,6-dimethyl-pyrimidine
CID 685828
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
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
4-(4-Chlorophenyl)-2-(ethylsulfonyl)-6-(trifluoromethyl)pyrimidine
CID 19588586
2-[2-(4-Chloro-phenylmethanesulfinyl)-ethylsulfanyl]-4,6-dimethyl-pyrimidine
CID 654944
2-({2-[(4-Chlorobenzyl)sulfonyl]ethyl}sulfanyl)-4,6-dimethylpyrimidine
CID 1015202
4-chlorophenyl 4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl sulfone
CID 1484760
2-(Benzylsulfonyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine
CID 2766500
2-[(2-Chlorophenyl)methylsulfanyl]-4,6-dimethylpyrimidine
CID 739857

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 2766486) is 2-[(4-chlorophenyl)methylsulfonyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1nc(S(=O)(=O)Cc2ccc(Cl)cc2)nc2c1CCC2.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is ARZCVPHPFMSZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-10-13-3-2-4-14(13)18-15(17-10)21(19,20)9-11-5-7-12(16)8-6-11/h5-8H,2-4,9H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methylsulfonyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-[(4-chlorophenyl)methylsulfonyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 322.82 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 2766486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).