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

C15H15FN2S — CID 16876483

IUPAC4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc2c(c(SCc3ccc(F)cc3)n1)CCC2
InChIInChI=1S/C15H15FN2S/c1-10-17-14-4-2-3-13(14)15(18-10)19-9-11-5-7-12(16)8-6-11/h5-8H,2-4,9H2,1H3
InChIKeyMTMCJQKRVMBNSK-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.71
Rot. Bonds3

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

4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 16876483) has the molecular formula C15H15FN2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID16876483
Molecular FormulaC15H15FN2S
Molecular Weight274.36 g/mol
Exact Mass274.09
IUPAC Name4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc2c(c(SCc3ccc(F)cc3)n1)CCC2
InChIInChI=1S/C15H15FN2S/c1-10-17-14-4-2-3-13(14)15(18-10)19-9-11-5-7-12(16)8-6-11/h5-8H,2-4,9H2,1H3
InChIKeyMTMCJQKRVMBNSK-UHFFFAOYSA-N
XLogP3.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 16876483) is 4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1nc2c(c(SCc3ccc(F)cc3)n1)CCC2.
What is the InChIKey of 4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is MTMCJQKRVMBNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2S/c1-10-17-14-4-2-3-13(14)15(18-10)19-9-11-5-7-12(16)8-6-11/h5-8H,2-4,9H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 274.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 16876483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).