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

C9H12N2S2 — CID 10242300

IUPAC2,4-bis(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCSc1nc2c(c(SC)n1)CCC2
InChIInChI=1S/C9H12N2S2/c1-12-8-6-4-3-5-7(6)10-9(11-8)13-2/h3-5H2,1-2H3
InChIKeyAZVMCGITTTZUEA-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.41
Rot. Bonds2

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

2,4-bis(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 10242300) has the molecular formula C9H12N2S2 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2,4-bis(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2,4-bis(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID10242300
Molecular FormulaC9H12N2S2
Molecular Weight212.34 g/mol
Exact Mass212.04
IUPAC Name2,4-bis(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCSc1nc2c(c(SC)n1)CCC2
InChIInChI=1S/C9H12N2S2/c1-12-8-6-4-3-5-7(6)10-9(11-8)13-2/h3-5H2,1-2H3
InChIKeyAZVMCGITTTZUEA-UHFFFAOYSA-N
XLogP2.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2,4-bis(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 10242300) is 2,4-bis(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2,4-bis(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2,4-bis(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CSc1nc2c(c(SC)n1)CCC2.
What is the InChIKey of 2,4-bis(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is AZVMCGITTTZUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S2/c1-12-8-6-4-3-5-7(6)10-9(11-8)13-2/h3-5H2,1-2H3.
What are the key properties of 2,4-bis(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2,4-bis(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 212.34 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 10242300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).