3-(methylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

C9H12N2OS — CID 126997467

IUPAC3-(methylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCSCn1cnc2c(c1=O)CCC2
InChIInChI=1S/C9H12N2OS/c1-13-6-11-5-10-8-4-2-3-7(8)9(11)12/h5H,2-4,6H2,1H3
InChIKeyYHAMXIWEPZPDLP-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.05
Rot. Bonds2

About 3-(methylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

3-(methylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (PubChem CID 126997467) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
PubChem CID126997467
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name3-(methylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCSCn1cnc2c(c1=O)CCC2
InChIInChI=1S/C9H12N2OS/c1-13-6-11-5-10-8-4-2-3-7(8)9(11)12/h5H,2-4,6H2,1H3
InChIKeyYHAMXIWEPZPDLP-UHFFFAOYSA-N
XLogP1.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 23155891
7-Methyl-6-propyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 23545584
6-Butyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 67962403
6,7-dihydro-2-(methylthio)-5H-cyclopenta[d]pyrimidin-4-ol
CID 135420619
1-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 141437424
5-Hexadecyl-3,6-dimethyl-2-methylsulfanylpyrimidin-4-one
CID 3108078
2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile
CID 7748343
N,N-diethyl-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
CID 7748443
3,6-Dimethyl-2-methylsulfanyl-5-(3-oxobutyl)pyrimidin-4-one
CID 14914002
7,8-dihydrocyclopenta[d][1,3]thiazolo[3,2-a]pyrimidin-5(6H)-one
CID 51657733
11-Methyl-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8,11-trien-2-one
CID 102406327
3,6-Dimethyl-2-methylsulfanyl-5-pentylpyrimidin-4-one
CID 121002083

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 3-(methylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (CID 126997467) is 3-(methylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 3-(methylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 3-(methylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is CSCn1cnc2c(c1=O)CCC2.
What is the InChIKey of 3-(methylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is YHAMXIWEPZPDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-13-6-11-5-10-8-4-2-3-7(8)9(11)12/h5H,2-4,6H2,1H3.
What are the key properties of 3-(methylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
3-(methylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 196.27 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 126997467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).