5-methyl-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one

C8H12N2OS — CID 558775

IUPAC5-methyl-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one
SMILESCc1cnc(SC(C)C)[nH]c1=O
InChIInChI=1S/C8H12N2OS/c1-5(2)12-8-9-4-6(3)7(11)10-8/h4-5H,1-3H3,(H,9,10,11)
InChIKeyXCQIWPZWSCRGCG-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.58
Rot. Bonds2

About 5-methyl-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one

5-methyl-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one (PubChem CID 558775) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-methyl-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one
PubChem CID558775
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name5-methyl-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one
SMILESCc1cnc(SC(C)C)[nH]c1=O
InChIInChI=1S/C8H12N2OS/c1-5(2)12-8-9-4-6(3)7(11)10-8/h4-5H,1-3H3,(H,9,10,11)
InChIKeyXCQIWPZWSCRGCG-UHFFFAOYSA-N
XLogP1.58
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Ethylthio)-4-hydroxypyrimidine-5-carbonitrile
CID 658007
4(3h)-Pyrimidinone, 2-(ethylthio)-5-fluoro-
CID 266536
5-Methyl-2-(methylthio)pyrimidin-4(3H)-one
CID 240575
4-Pyrimidinol, 5-ethyl-2-methylthio-
CID 598439
((4-Hydroxy-5-methyl-2-pyrimidinyl)thio)acetic acid
CID 51060086
2,5-bis(methylsulfanyl)-1H-pyrimidin-6-one
CID 243822
2-(4,4-difluorobut-3-enylsulfanyl)-5-methyl-1H-pyrimidin-6-one
CID 21478909
4(1H)-Pyrimidinone, 5-methyl-2-(propylthio)-
CID 588347
4(1H)-Pyrimidinone, 2-(butylthio)-5-methyl-
CID 588348
2-(Ethylsulfanyl)-5-methylpyrimidin-4(3H)-one
CID 598411
2-Prenylsulfanylpyrimidin-4(3h)one
CID 102597899
2-Methallylthio-4(3h)-pyrimidinone
CID 119094869

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one (CID 558775) is 5-methyl-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one is Cc1cnc(SC(C)C)[nH]c1=O.
What is the InChIKey of 5-methyl-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is XCQIWPZWSCRGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-5(2)12-8-9-4-6(3)7(11)10-8/h4-5H,1-3H3,(H,9,10,11).
What are the key properties of 5-methyl-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one?
5-methyl-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 184.26 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 558775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).