2-(2-hydroxybutylsulfanyl)-1H-pyrimidin-6-one

C8H12N2O2S — CID 60878606

IUPAC2-(2-hydroxybutylsulfanyl)-1H-pyrimidin-6-one
SMILESCCC(O)CSc1nccc(=O)[nH]1
InChIInChI=1S/C8H12N2O2S/c1-2-6(11)5-13-8-9-4-3-7(12)10-8/h3-4,6,11H,2,5H2,1H3,(H,9,10,12)
InChIKeyOIWUPYTUUCKFHE-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.63
Rot. Bonds4

About 2-(2-hydroxybutylsulfanyl)-1H-pyrimidin-6-one

2-(2-hydroxybutylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 60878606) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-(2-hydroxybutylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-hydroxybutylsulfanyl)-1H-pyrimidin-6-one
PubChem CID60878606
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-(2-hydroxybutylsulfanyl)-1H-pyrimidin-6-one
SMILESCCC(O)CSc1nccc(=O)[nH]1
InChIInChI=1S/C8H12N2O2S/c1-2-6(11)5-13-8-9-4-3-7(12)10-8/h3-4,6,11H,2,5H2,1H3,(H,9,10,12)
InChIKeyOIWUPYTUUCKFHE-UHFFFAOYSA-N
XLogP0.63
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxybutylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-hydroxybutylsulfanyl)-1H-pyrimidin-6-one (CID 60878606) is 2-(2-hydroxybutylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-hydroxybutylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-hydroxybutylsulfanyl)-1H-pyrimidin-6-one is CCC(O)CSc1nccc(=O)[nH]1.
What is the InChIKey of 2-(2-hydroxybutylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is OIWUPYTUUCKFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-6(11)5-13-8-9-4-3-7(12)10-8/h3-4,6,11H,2,5H2,1H3,(H,9,10,12).
What are the key properties of 2-(2-hydroxybutylsulfanyl)-1H-pyrimidin-6-one?
2-(2-hydroxybutylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 200.26 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxybutylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 60878606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).