2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C8H10N2S — CID 90815843

IUPAC2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCSc1ncc2c(n1)CCC2
InChIInChI=1S/C8H10N2S/c1-11-8-9-5-6-3-2-4-7(6)10-8/h5H,2-4H2,1H3
InChIKeyIFQZZMKLFMUHRW-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.69
Rot. Bonds1

About 2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 90815843) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID90815843
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCSc1ncc2c(n1)CCC2
InChIInChI=1S/C8H10N2S/c1-11-8-9-5-6-3-2-4-7(6)10-8/h5H,2-4H2,1H3
InChIKeyIFQZZMKLFMUHRW-UHFFFAOYSA-N
XLogP1.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 90815843) is 2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CSc1ncc2c(n1)CCC2.
What is the InChIKey of 2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is IFQZZMKLFMUHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-11-8-9-5-6-3-2-4-7(6)10-8/h5H,2-4H2,1H3.
What are the key properties of 2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 166.25 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 90815843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).