2-cyclopropyl-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one

C9H12N2O2S — CID 114578904

IUPAC2-cyclopropyl-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one
SMILESO=c1cc(SCCO)nc(C2CC2)[nH]1
InChIInChI=1S/C9H12N2O2S/c12-3-4-14-8-5-7(13)10-9(11-8)6-1-2-6/h5-6,12H,1-4H2,(H,10,11,13)
InChIKeyOJDXOOMNOOMKBD-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.73
Rot. Bonds4

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

2-cyclopropyl-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 114578904) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID114578904
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name2-cyclopropyl-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one
SMILESO=c1cc(SCCO)nc(C2CC2)[nH]1
InChIInChI=1S/C9H12N2O2S/c12-3-4-14-8-5-7(13)10-9(11-8)6-1-2-6/h5-6,12H,1-4H2,(H,10,11,13)
InChIKeyOJDXOOMNOOMKBD-UHFFFAOYSA-N
XLogP0.73
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid
CID 114573941
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-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)sulfanyl]-2-methylpropanoic acid
CID 114574064
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)sulfanyl]-2-methylpropanoic acid
CID 114574146
4-(2-hydroxyethylsulfanyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114578899
2-ethyl-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one
CID 114578903
4-(2-hydroxyethylsulfanyl)-2-methyl-1H-pyrimidin-6-one
CID 114578908

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one (CID 114578904) is 2-cyclopropyl-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one is O=c1cc(SCCO)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is OJDXOOMNOOMKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-3-4-14-8-5-7(13)10-9(11-8)6-1-2-6/h5-6,12H,1-4H2,(H,10,11,13).
What are the key properties of 2-cyclopropyl-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 212.27 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114578904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).