2-ethylsulfanyl-4-hydroxy-5-methoxy-1H-pyrimidin-6-one

C7H10N2O3S — CID 91172130

IUPAC2-ethylsulfanyl-4-hydroxy-5-methoxy-1H-pyrimidin-6-one
SMILESCCSc1nc(O)c(OC)c(=O)[nH]1
InChIInChI=1S/C7H10N2O3S/c1-3-13-7-8-5(10)4(12-2)6(11)9-7/h3H2,1-2H3,(H2,8,9,10,11)
InChIKeySIRADHHLJPGTGJ-UHFFFAOYSA-N
MW202.23 g/mol
LogP0.60
Rot. Bonds3

About 2-ethylsulfanyl-4-hydroxy-5-methoxy-1H-pyrimidin-6-one

2-ethylsulfanyl-4-hydroxy-5-methoxy-1H-pyrimidin-6-one (PubChem CID 91172130) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-hydroxy-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethylsulfanyl-4-hydroxy-5-methoxy-1H-pyrimidin-6-one
PubChem CID91172130
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name2-ethylsulfanyl-4-hydroxy-5-methoxy-1H-pyrimidin-6-one
SMILESCCSc1nc(O)c(OC)c(=O)[nH]1
InChIInChI=1S/C7H10N2O3S/c1-3-13-7-8-5(10)4(12-2)6(11)9-7/h3H2,1-2H3,(H2,8,9,10,11)
InChIKeySIRADHHLJPGTGJ-UHFFFAOYSA-N
XLogP0.60
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-hydroxy-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-ethylsulfanyl-4-hydroxy-5-methoxy-1H-pyrimidin-6-one (CID 91172130) is 2-ethylsulfanyl-4-hydroxy-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethylsulfanyl-4-hydroxy-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethylsulfanyl-4-hydroxy-5-methoxy-1H-pyrimidin-6-one is CCSc1nc(O)c(OC)c(=O)[nH]1.
What is the InChIKey of 2-ethylsulfanyl-4-hydroxy-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is SIRADHHLJPGTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-3-13-7-8-5(10)4(12-2)6(11)9-7/h3H2,1-2H3,(H2,8,9,10,11).
What are the key properties of 2-ethylsulfanyl-4-hydroxy-5-methoxy-1H-pyrimidin-6-one?
2-ethylsulfanyl-4-hydroxy-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 202.23 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-hydroxy-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 91172130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).