3,5-dimethyl-2-methylsulfanylpyrimidin-4-one

C7H10N2OS — CID 13043056

IUPAC3,5-dimethyl-2-methylsulfanylpyrimidin-4-one
SMILESCSc1ncc(C)c(=O)n1C
InChIInChI=1S/C7H10N2OS/c1-5-4-8-7(11-3)9(2)6(5)10/h4H,1-3H3
InChIKeyDARGYJXPLAJTHQ-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.81
Rot. Bonds1

About 3,5-dimethyl-2-methylsulfanylpyrimidin-4-one

3,5-dimethyl-2-methylsulfanylpyrimidin-4-one (PubChem CID 13043056) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 3,5-dimethyl-2-methylsulfanylpyrimidin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-2-methylsulfanylpyrimidin-4-one
PubChem CID13043056
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name3,5-dimethyl-2-methylsulfanylpyrimidin-4-one
SMILESCSc1ncc(C)c(=O)n1C
InChIInChI=1S/C7H10N2OS/c1-5-4-8-7(11-3)9(2)6(5)10/h4H,1-3H3
InChIKeyDARGYJXPLAJTHQ-UHFFFAOYSA-N
XLogP0.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-2-(methylthio)-4(3H)-pyrimidinone
CID 138727
5-Fluoro-3-methyl-2-methylsulfanylpyrimidin-4-one
CID 911711
5-Methyl-2-(methylthio)pyrimidin-4(3H)-one
CID 240575
Pyrimidine, 1,6-dihydro-1,5-dimethyl-6-oxo-
CID 20772180
6-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one
CID 11367200
2-(Ethylsulfanyl)-5-methylpyrimidin-4(3H)-one
CID 598411
2-Ethylsulfanyl-3,5-dimethylpyrimidin-4-one
CID 129744101
2-Ethylsulfanyl-1,5-dimethylpyrimidin-4-one
CID 129744216
3-(5-Methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)propanal
CID 10656173
6-Methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 20772195
6-methyl-2-hydroxy-5H-thiazolo [3,2-a]pyrimidin-5-one
CID 22373682
2-Methanidyl-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;yttrium
CID 59061924

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-methylsulfanylpyrimidin-4-one?
The IUPAC name of 3,5-dimethyl-2-methylsulfanylpyrimidin-4-one (CID 13043056) is 3,5-dimethyl-2-methylsulfanylpyrimidin-4-one.
What is the SMILES notation for 3,5-dimethyl-2-methylsulfanylpyrimidin-4-one?
The canonical SMILES for 3,5-dimethyl-2-methylsulfanylpyrimidin-4-one is CSc1ncc(C)c(=O)n1C.
What is the InChIKey of 3,5-dimethyl-2-methylsulfanylpyrimidin-4-one?
The InChIKey is DARGYJXPLAJTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-5-4-8-7(11-3)9(2)6(5)10/h4H,1-3H3.
What are the key properties of 3,5-dimethyl-2-methylsulfanylpyrimidin-4-one?
3,5-dimethyl-2-methylsulfanylpyrimidin-4-one has a molecular weight of 170.24 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-methylsulfanylpyrimidin-4-one is sourced from PubChem (CID 13043056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).