2-ethylsulfanyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C10H11F3N2S — CID 967757

IUPAC2-ethylsulfanyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCCSc1nc2c(c(C(F)(F)F)n1)CCC2
InChIInChI=1S/C10H11F3N2S/c1-2-16-9-14-7-5-3-4-6(7)8(15-9)10(11,12)13/h2-5H2,1H3
InChIKeySPTGSVVMIKVLGX-UHFFFAOYSA-N
MW248.27 g/mol
LogP3.10
Rot. Bonds2

About 2-ethylsulfanyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-ethylsulfanyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 967757) has the molecular formula C10H11F3N2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-ethylsulfanyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID967757
Molecular FormulaC10H11F3N2S
Molecular Weight248.27 g/mol
Exact Mass248.06
IUPAC Name2-ethylsulfanyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCCSc1nc2c(c(C(F)(F)F)n1)CCC2
InChIInChI=1S/C10H11F3N2S/c1-2-16-9-14-7-5-3-4-6(7)8(15-9)10(11,12)13/h2-5H2,1H3
InChIKeySPTGSVVMIKVLGX-UHFFFAOYSA-N
XLogP3.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-ethylsulfanyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 967757) is 2-ethylsulfanyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-ethylsulfanyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-ethylsulfanyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CCSc1nc2c(c(C(F)(F)F)n1)CCC2.
What is the InChIKey of 2-ethylsulfanyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is SPTGSVVMIKVLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2S/c1-2-16-9-14-7-5-3-4-6(7)8(15-9)10(11,12)13/h2-5H2,1H3.
What are the key properties of 2-ethylsulfanyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-ethylsulfanyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 248.27 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 967757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).