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

C10H14N2O2S — CID 114578970

IUPAC2-cyclopropyl-4-(1-hydroxypropan-2-ylsulfanyl)-1H-pyrimidin-6-one
SMILESCC(CO)Sc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C10H14N2O2S/c1-6(5-13)15-9-4-8(14)11-10(12-9)7-2-3-7/h4,6-7,13H,2-3,5H2,1H3,(H,11,12,14)
InChIKeyGCCHFWKWHDWKJB-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.12
Rot. Bonds4

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

2-cyclopropyl-4-(1-hydroxypropan-2-ylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 114578970) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-(1-hydroxypropan-2-ylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(1-hydroxypropan-2-ylsulfanyl)-1H-pyrimidin-6-one
PubChem CID114578970
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-cyclopropyl-4-(1-hydroxypropan-2-ylsulfanyl)-1H-pyrimidin-6-one
SMILESCC(CO)Sc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C10H14N2O2S/c1-6(5-13)15-9-4-8(14)11-10(12-9)7-2-3-7/h4,6-7,13H,2-3,5H2,1H3,(H,11,12,14)
InChIKeyGCCHFWKWHDWKJB-UHFFFAOYSA-N
XLogP1.12
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-4-(1-hydroxypropan-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-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)sulfanyl]butanoic acid
CID 105354824
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
3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)sulfanyl]propanoic acid
CID 114573939
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid
CID 114573941
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)sulfanyl]propanoic acid
CID 114573949
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid
CID 114573951
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)sulfanyl]acetic acid
CID 114573959
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)sulfanyl]acetic acid
CID 114573961
3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)sulfanyl]-2-methylpropanoic acid
CID 114574061

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(1-hydroxypropan-2-ylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(1-hydroxypropan-2-ylsulfanyl)-1H-pyrimidin-6-one (CID 114578970) is 2-cyclopropyl-4-(1-hydroxypropan-2-ylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(1-hydroxypropan-2-ylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(1-hydroxypropan-2-ylsulfanyl)-1H-pyrimidin-6-one is CC(CO)Sc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(1-hydroxypropan-2-ylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is GCCHFWKWHDWKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-6(5-13)15-9-4-8(14)11-10(12-9)7-2-3-7/h4,6-7,13H,2-3,5H2,1H3,(H,11,12,14).
What are the key properties of 2-cyclopropyl-4-(1-hydroxypropan-2-ylsulfanyl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(1-hydroxypropan-2-ylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 226.30 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(1-hydroxypropan-2-ylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114578970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).