3-(methylsulfanylmethyl)pyrimidin-4-one

C6H8N2OS — CID 130978929

IUPAC3-(methylsulfanylmethyl)pyrimidin-4-one
SMILESCSCn1cnccc1=O
InChIInChI=1S/C6H8N2OS/c1-10-5-8-4-7-3-2-6(8)9/h2-4H,5H2,1H3
InChIKeyRHROIWZRPOSZNH-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.56
Rot. Bonds2

About 3-(methylsulfanylmethyl)pyrimidin-4-one

3-(methylsulfanylmethyl)pyrimidin-4-one (PubChem CID 130978929) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)pyrimidin-4-one
PubChem CID130978929
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name3-(methylsulfanylmethyl)pyrimidin-4-one
SMILESCSCn1cnccc1=O
InChIInChI=1S/C6H8N2OS/c1-10-5-8-4-7-3-2-6(8)9/h2-4H,5H2,1H3
InChIKeyRHROIWZRPOSZNH-UHFFFAOYSA-N
XLogP0.56
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-2-(methylthio)-4(3H)-pyrimidinone
CID 138727
3-methylpyrimidin-4(3H)-one
CID 301417
2-Methylsulfanyl-3-prop-2-enylpyrimidin-4-one
CID 259152
Mls002694862
CID 259153
5-Fluoro-3-methyl-2-methylsulfanylpyrimidin-4-one
CID 911711
6-Amino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one
CID 245691
1H-4-Pyrimidinone, 1-methyl-2-methylthio-
CID 138728
5H-Thiazolo(3,2-a)pyrimidin-5-one
CID 354784
1-Ethylpyrimidin-4-one
CID 426506
Pyrimidine, 1,6-dihydro-1-methyl-4-methylthio-6-oxo-
CID 12278854
Pyrimidine, 1.4-dihydro-1-methyl-6-methylthio-4-oxo-
CID 91618501
2-(Ethylthio)-3-methyl-4-pyrimidone
CID 129660839

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)pyrimidin-4-one?
The IUPAC name of 3-(methylsulfanylmethyl)pyrimidin-4-one (CID 130978929) is 3-(methylsulfanylmethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(methylsulfanylmethyl)pyrimidin-4-one?
The canonical SMILES for 3-(methylsulfanylmethyl)pyrimidin-4-one is CSCn1cnccc1=O.
What is the InChIKey of 3-(methylsulfanylmethyl)pyrimidin-4-one?
The InChIKey is RHROIWZRPOSZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-10-5-8-4-7-3-2-6(8)9/h2-4H,5H2,1H3.
What are the key properties of 3-(methylsulfanylmethyl)pyrimidin-4-one?
3-(methylsulfanylmethyl)pyrimidin-4-one has a molecular weight of 156.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)pyrimidin-4-one is sourced from PubChem (CID 130978929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).