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

C15H15ClN2S — CID 967348

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc(SCc2ccc(Cl)cc2)nc2c1CCC2
InChIInChI=1S/C15H15ClN2S/c1-10-13-3-2-4-14(13)18-15(17-10)19-9-11-5-7-12(16)8-6-11/h5-8H,2-4,9H2,1H3
InChIKeyAJZQOOVVXLKQDM-UHFFFAOYSA-N
MW290.82 g/mol
LogP4.22
Rot. Bonds3

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

2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 967348) has the molecular formula C15H15ClN2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID967348
Molecular FormulaC15H15ClN2S
Molecular Weight290.82 g/mol
Exact Mass290.06
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc(SCc2ccc(Cl)cc2)nc2c1CCC2
InChIInChI=1S/C15H15ClN2S/c1-10-13-3-2-4-14(13)18-15(17-10)19-9-11-5-7-12(16)8-6-11/h5-8H,2-4,9H2,1H3
InChIKeyAJZQOOVVXLKQDM-UHFFFAOYSA-N
XLogP4.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 967348) is 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1nc(SCc2ccc(Cl)cc2)nc2c1CCC2.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is AJZQOOVVXLKQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2S/c1-10-13-3-2-4-14(13)18-15(17-10)19-9-11-5-7-12(16)8-6-11/h5-8H,2-4,9H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 290.82 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 967348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).