4-hydroxy-5-methyl-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one

C7H10N2O2S — CID 63612442

IUPAC4-hydroxy-5-methyl-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESCSCc1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C7H10N2O2S/c1-4-6(10)8-5(3-12-2)9-7(4)11/h3H2,1-2H3,(H2,8,9,10,11)
InChIKeyFBMKOKWXQOGPHE-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.65
Rot. Bonds2

About 4-hydroxy-5-methyl-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one (PubChem CID 63612442) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one
PubChem CID63612442
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name4-hydroxy-5-methyl-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESCSCc1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C7H10N2O2S/c1-4-6(10)8-5(3-12-2)9-7(4)11/h3H2,1-2H3,(H2,8,9,10,11)
InChIKeyFBMKOKWXQOGPHE-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one (CID 63612442) is 4-hydroxy-5-methyl-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one is CSCc1nc(O)c(C)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-5-methyl-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one?
The InChIKey is FBMKOKWXQOGPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-4-6(10)8-5(3-12-2)9-7(4)11/h3H2,1-2H3,(H2,8,9,10,11).
What are the key properties of 4-hydroxy-5-methyl-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one has a molecular weight of 186.24 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63612442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).