2-methoxy-6-methyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one

C10H16N2O2S — CID 104863744

IUPAC2-methoxy-6-methyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCCSC
InChIInChI=1S/C10H16N2O2S/c1-8-7-9(13)12(5-4-6-15-3)10(11-8)14-2/h7H,4-6H2,1-3H3
InChIKeyIWIAQAAWPMBNKS-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.31
Rot. Bonds5

About 2-methoxy-6-methyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one

2-methoxy-6-methyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one (PubChem CID 104863744) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one
PubChem CID104863744
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-methoxy-6-methyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCCSC
InChIInChI=1S/C10H16N2O2S/c1-8-7-9(13)12(5-4-6-15-3)10(11-8)14-2/h7H,4-6H2,1-3H3
InChIKeyIWIAQAAWPMBNKS-UHFFFAOYSA-N
XLogP1.31
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one (CID 104863744) is 2-methoxy-6-methyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one is COc1nc(C)cc(=O)n1CCCSC.
What is the InChIKey of 2-methoxy-6-methyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one?
The InChIKey is IWIAQAAWPMBNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8-7-9(13)12(5-4-6-15-3)10(11-8)14-2/h7H,4-6H2,1-3H3.
What are the key properties of 2-methoxy-6-methyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one?
2-methoxy-6-methyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one has a molecular weight of 228.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one is sourced from PubChem (CID 104863744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).