4-(1-hydroxypropan-2-ylsulfanyl)-2-propan-2-yl-1H-pyrimidin-6-one

C10H16N2O2S — CID 114578965

IUPAC4-(1-hydroxypropan-2-ylsulfanyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(CO)Sc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C10H16N2O2S/c1-6(2)10-11-8(14)4-9(12-10)15-7(3)5-13/h4,6-7,13H,5H2,1-3H3,(H,11,12,14)
InChIKeyMGIIIOBKJXFPFH-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.37
Rot. Bonds4

About 4-(1-hydroxypropan-2-ylsulfanyl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(1-hydroxypropan-2-ylsulfanyl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 114578965) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-(1-hydroxypropan-2-ylsulfanyl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-hydroxypropan-2-ylsulfanyl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID114578965
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-(1-hydroxypropan-2-ylsulfanyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(CO)Sc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C10H16N2O2S/c1-6(2)10-11-8(14)4-9(12-10)15-7(3)5-13/h4,6-7,13H,5H2,1-3H3,(H,11,12,14)
InChIKeyMGIIIOBKJXFPFH-UHFFFAOYSA-N
XLogP1.37
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1-hydroxypropan-2-ylsulfanyl)-2-propan-2-yl-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

4-methylsulfanyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 133681990
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)sulfanyl]butanoic acid
CID 105354818
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)sulfanyl]-3-methylbutanoic acid
CID 105355154
2-cyclopropyl-4-(3-hydroxybutan-2-ylsulfanyl)-1H-pyrimidin-6-one
CID 107771078
4-(3-hydroxybutan-2-ylsulfanyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 107771100
2-ethyl-4-(3-hydroxybutan-2-ylsulfanyl)-1H-pyrimidin-6-one
CID 107771121
4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-1H-pyrimidin-6-one
CID 107771188
methyl 2-methyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)sulfanyl]propanoate
CID 113602934
3-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)sulfanyl]butanoic acid
CID 113706758
3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)sulfanyl]propanoic acid
CID 114573939
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid
CID 114573948
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)sulfanyl]propanoic acid
CID 114573949

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxypropan-2-ylsulfanyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-hydroxypropan-2-ylsulfanyl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 114578965) is 4-(1-hydroxypropan-2-ylsulfanyl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-hydroxypropan-2-ylsulfanyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-hydroxypropan-2-ylsulfanyl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(CO)Sc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-(1-hydroxypropan-2-ylsulfanyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MGIIIOBKJXFPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-6(2)10-11-8(14)4-9(12-10)15-7(3)5-13/h4,6-7,13H,5H2,1-3H3,(H,11,12,14).
What are the key properties of 4-(1-hydroxypropan-2-ylsulfanyl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(1-hydroxypropan-2-ylsulfanyl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 228.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxypropan-2-ylsulfanyl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 114578965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).