3-methyl-2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-one

C11H16N2O2S — CID 42609524

IUPAC3-methyl-2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-one
SMILESCSc1nc(C2CCOCC2)cc(=O)n1C
InChIInChI=1S/C11H16N2O2S/c1-13-10(14)7-9(12-11(13)16-2)8-3-5-15-6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyONPGMXQNAZGGJR-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.40
Rot. Bonds2

About 3-methyl-2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-one

3-methyl-2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-one (PubChem CID 42609524) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-methyl-2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-one
PubChem CID42609524
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-methyl-2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-one
SMILESCSc1nc(C2CCOCC2)cc(=O)n1C
InChIInChI=1S/C11H16N2O2S/c1-13-10(14)7-9(12-11(13)16-2)8-3-5-15-6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyONPGMXQNAZGGJR-UHFFFAOYSA-N
XLogP1.40
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(3-methylsulfanylphenyl)-6-(oxan-4-yl)pyrimidin-4-amine
CID 155980389
6-cyclopropyl-3-(oxan-4-yl)pyrimidin-4-one
CID 126857652
2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-amine
CID 122239001
1-methyl-3-(oxan-4-yl)pyrazole-5-carboxylic acid
CID 83702839
4-[[4-[2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 155980384
4-methyl-2-(oxan-4-yl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271373
2-cyclopropyl-4-methyl-6-[4-[2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 155980467
5-(oxolan-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 130287536
4-methyl-2-(oxan-4-yl)pyrazolo[1,5-a]quinazolin-5-one
CID 141390503
7-fluoro-2-(oxan-4-yl)-4-propan-2-ylquinoline
CID 175841366
2-methyl-6-(oxan-4-yl)pyrimidine-4-carbonitrile
CID 116857963
5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 83705758

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-one?
The IUPAC name of 3-methyl-2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-one (CID 42609524) is 3-methyl-2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-one is CSc1nc(C2CCOCC2)cc(=O)n1C.
What is the InChIKey of 3-methyl-2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-one?
The InChIKey is ONPGMXQNAZGGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-13-10(14)7-9(12-11(13)16-2)8-3-5-15-6-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-methyl-2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-one?
3-methyl-2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-one has a molecular weight of 240.33 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-one is sourced from PubChem (CID 42609524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).