6-tert-butyl-3-methyl-2-methylsulfanylpyrimidin-4-one

C10H16N2OS — CID 15790254

IUPAC6-tert-butyl-3-methyl-2-methylsulfanylpyrimidin-4-one
SMILESCSc1nc(C(C)(C)C)cc(=O)n1C
InChIInChI=1S/C10H16N2OS/c1-10(2,3)7-6-8(13)12(4)9(11-7)14-5/h6H,1-5H3
InChIKeyVKDGNGUMTMWQQU-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.80
Rot. Bonds1

About 6-tert-butyl-3-methyl-2-methylsulfanylpyrimidin-4-one

6-tert-butyl-3-methyl-2-methylsulfanylpyrimidin-4-one (PubChem CID 15790254) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 6-tert-butyl-3-methyl-2-methylsulfanylpyrimidin-4-one.

Molecular Properties

Compound Name6-tert-butyl-3-methyl-2-methylsulfanylpyrimidin-4-one
PubChem CID15790254
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name6-tert-butyl-3-methyl-2-methylsulfanylpyrimidin-4-one
SMILESCSc1nc(C(C)(C)C)cc(=O)n1C
InChIInChI=1S/C10H16N2OS/c1-10(2,3)7-6-8(13)12(4)9(11-7)14-5/h6H,1-5H3
InChIKeyVKDGNGUMTMWQQU-UHFFFAOYSA-N
XLogP1.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-methyl-2-methylsulfanylpyrimidin-4-one?
The IUPAC name of 6-tert-butyl-3-methyl-2-methylsulfanylpyrimidin-4-one (CID 15790254) is 6-tert-butyl-3-methyl-2-methylsulfanylpyrimidin-4-one.
What is the SMILES notation for 6-tert-butyl-3-methyl-2-methylsulfanylpyrimidin-4-one?
The canonical SMILES for 6-tert-butyl-3-methyl-2-methylsulfanylpyrimidin-4-one is CSc1nc(C(C)(C)C)cc(=O)n1C.
What is the InChIKey of 6-tert-butyl-3-methyl-2-methylsulfanylpyrimidin-4-one?
The InChIKey is VKDGNGUMTMWQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-10(2,3)7-6-8(13)12(4)9(11-7)14-5/h6H,1-5H3.
What are the key properties of 6-tert-butyl-3-methyl-2-methylsulfanylpyrimidin-4-one?
6-tert-butyl-3-methyl-2-methylsulfanylpyrimidin-4-one has a molecular weight of 212.32 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-methyl-2-methylsulfanylpyrimidin-4-one is sourced from PubChem (CID 15790254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).