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

C10H16N2O2S — CID 65135923

IUPAC2-(butan-2-ylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCC(C)SCc1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C10H16N2O2S/c1-4-6(2)15-5-8-11-9(13)7(3)10(14)12-8/h6H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyWASAOSPTWXVHDO-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.82
Rot. Bonds4

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

2-(butan-2-ylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 65135923) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-(butan-2-ylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(butan-2-ylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID65135923
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-(butan-2-ylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCC(C)SCc1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C10H16N2O2S/c1-4-6(2)15-5-8-11-9(13)7(3)10(14)12-8/h6H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyWASAOSPTWXVHDO-UHFFFAOYSA-N
XLogP1.82
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(butan-2-ylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 65135923) is 2-(butan-2-ylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(butan-2-ylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(butan-2-ylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is CCC(C)SCc1nc(O)c(C)c(=O)[nH]1.
What is the InChIKey of 2-(butan-2-ylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is WASAOSPTWXVHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-4-6(2)15-5-8-11-9(13)7(3)10(14)12-8/h6H,4-5H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 2-(butan-2-ylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(butan-2-ylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 228.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylsulfanylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 65135923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).