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

C7H10N2O2S — CID 174159300

IUPAC2-ethylsulfanyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCSc1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C7H10N2O2S/c1-3-12-7-8-5(10)4(2)6(11)9-7/h3H2,1-2H3,(H2,8,9,10,11)
InChIKeyJVWLRHKXISVVDH-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.90
Rot. Bonds2

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

2-ethylsulfanyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 174159300) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethylsulfanyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID174159300
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-ethylsulfanyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCSc1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C7H10N2O2S/c1-3-12-7-8-5(10)4(2)6(11)9-7/h3H2,1-2H3,(H2,8,9,10,11)
InChIKeyJVWLRHKXISVVDH-UHFFFAOYSA-N
XLogP0.90
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-ethylsulfanyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 174159300) is 2-ethylsulfanyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethylsulfanyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethylsulfanyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one is CCSc1nc(O)c(C)c(=O)[nH]1.
What is the InChIKey of 2-ethylsulfanyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is JVWLRHKXISVVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-3-12-7-8-5(10)4(2)6(11)9-7/h3H2,1-2H3,(H2,8,9,10,11).
What are the key properties of 2-ethylsulfanyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-ethylsulfanyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 186.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 174159300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).