1-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

C8H10N2OS — CID 141437424

IUPAC1-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCSn1cnc(=O)c2c1CCC2
InChIInChI=1S/C8H10N2OS/c1-12-10-5-9-8(11)6-3-2-4-7(6)10/h5H,2-4H2,1H3
InChIKeyXZOYHKKUOADCRT-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.86
Rot. Bonds1

About 1-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

1-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (PubChem CID 141437424) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 1-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
PubChem CID141437424
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name1-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCSn1cnc(=O)c2c1CCC2
InChIInChI=1S/C8H10N2OS/c1-12-10-5-9-8(11)6-3-2-4-7(6)10/h5H,2-4H2,1H3
InChIKeyXZOYHKKUOADCRT-UHFFFAOYSA-N
XLogP0.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dihydro-2-(methylthio)-5H-cyclopenta[d]pyrimidin-4-ol
CID 135420619
5-Butyl-3,6-dimethyl-2-methylsulfanylpyrimidin-4-one
CID 121224352
3-(methylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 126997467
3-(methoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 130605363
3-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 130622029
3-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 130710730

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 1-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (CID 141437424) is 1-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 1-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 1-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is CSn1cnc(=O)c2c1CCC2.
What is the InChIKey of 1-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is XZOYHKKUOADCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-12-10-5-9-8(11)6-3-2-4-7(6)10/h5H,2-4H2,1H3.
What are the key properties of 1-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
1-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 182.25 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 141437424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).