3-methyl-2-methylsulfanyl-6-propan-2-ylpyrimidin-4-one

C9H14N2OS — CID 22406439

IUPAC3-methyl-2-methylsulfanyl-6-propan-2-ylpyrimidin-4-one
SMILESCSc1nc(C(C)C)cc(=O)n1C
InChIInChI=1S/C9H14N2OS/c1-6(2)7-5-8(12)11(3)9(10-7)13-4/h5-6H,1-4H3
InChIKeyPUGDBNRFVKVJMX-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.63
Rot. Bonds2

About 3-methyl-2-methylsulfanyl-6-propan-2-ylpyrimidin-4-one

3-methyl-2-methylsulfanyl-6-propan-2-ylpyrimidin-4-one (PubChem CID 22406439) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-methyl-2-methylsulfanyl-6-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-methylsulfanyl-6-propan-2-ylpyrimidin-4-one
PubChem CID22406439
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3-methyl-2-methylsulfanyl-6-propan-2-ylpyrimidin-4-one
SMILESCSc1nc(C(C)C)cc(=O)n1C
InChIInChI=1S/C9H14N2OS/c1-6(2)7-5-8(12)11(3)9(10-7)13-4/h5-6H,1-4H3
InChIKeyPUGDBNRFVKVJMX-UHFFFAOYSA-N
XLogP1.63
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4(3H)-Pyrimidinone, 3,6-dimethyl-2-(methylthio)-
CID 12295356
3-Methyl-2-methylsulfanyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidin-4-one
CID 22406431
1,6-Dimethyl-2-(methylsulfanyl)pyrimidin-4(1h)-one
CID 263011
1-Methyl-2-methylsulfanyl-6-propylpyrimidin-4-one
CID 45141530
7-Propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 12046258
6-Tert-butyl-3-methyl-2-methylsulfanylpyrimidin-4-one
CID 15790254
3-Methyl-2-methylsulfanyl-6-propylpyrimidin-4-one
CID 22406451
7-Ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 67796434
3-Methyl-6-propan-2-ylpyrimidin-4-one
CID 70214708
5-Propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 91806708
3-Methyl-7-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 124129846
6-Isopropyl-2-(methylthio)pyrimidin-4-ol
CID 135571581

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylsulfanyl-6-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-methyl-2-methylsulfanyl-6-propan-2-ylpyrimidin-4-one (CID 22406439) is 3-methyl-2-methylsulfanyl-6-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-methylsulfanyl-6-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-methyl-2-methylsulfanyl-6-propan-2-ylpyrimidin-4-one is CSc1nc(C(C)C)cc(=O)n1C.
What is the InChIKey of 3-methyl-2-methylsulfanyl-6-propan-2-ylpyrimidin-4-one?
The InChIKey is PUGDBNRFVKVJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6(2)7-5-8(12)11(3)9(10-7)13-4/h5-6H,1-4H3.
What are the key properties of 3-methyl-2-methylsulfanyl-6-propan-2-ylpyrimidin-4-one?
3-methyl-2-methylsulfanyl-6-propan-2-ylpyrimidin-4-one has a molecular weight of 198.29 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylsulfanyl-6-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 22406439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).