4-methoxy-6-methyl-2-(3-methylsulfinyl-1,2,4-triazol-4-yl)pyrimidine

C9H11N5O2S — CID 154736542

IUPAC4-methoxy-6-methyl-2-(3-methylsulfinyl-1,2,4-triazol-4-yl)pyrimidine
SMILESCOc1cc(C)nc(-n2cnnc2S(C)=O)n1
InChIInChI=1S/C9H11N5O2S/c1-6-4-7(16-2)12-8(11-6)14-5-10-13-9(14)17(3)15/h4-5H,1-3H3
InChIKeyAASAFWGWENFWSI-UHFFFAOYSA-N
MW253.29 g/mol
LogP0.11
Rot. Bonds3

About 4-methoxy-6-methyl-2-(3-methylsulfinyl-1,2,4-triazol-4-yl)pyrimidine

4-methoxy-6-methyl-2-(3-methylsulfinyl-1,2,4-triazol-4-yl)pyrimidine (PubChem CID 154736542) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 4-methoxy-6-methyl-2-(3-methylsulfinyl-1,2,4-triazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-methyl-2-(3-methylsulfinyl-1,2,4-triazol-4-yl)pyrimidine
PubChem CID154736542
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name4-methoxy-6-methyl-2-(3-methylsulfinyl-1,2,4-triazol-4-yl)pyrimidine
SMILESCOc1cc(C)nc(-n2cnnc2S(C)=O)n1
InChIInChI=1S/C9H11N5O2S/c1-6-4-7(16-2)12-8(11-6)14-5-10-13-9(14)17(3)15/h4-5H,1-3H3
InChIKeyAASAFWGWENFWSI-UHFFFAOYSA-N
XLogP0.11
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-2-(3-methylsulfinyl-1,2,4-triazol-4-yl)pyrimidine?
The IUPAC name of 4-methoxy-6-methyl-2-(3-methylsulfinyl-1,2,4-triazol-4-yl)pyrimidine (CID 154736542) is 4-methoxy-6-methyl-2-(3-methylsulfinyl-1,2,4-triazol-4-yl)pyrimidine.
What is the SMILES notation for 4-methoxy-6-methyl-2-(3-methylsulfinyl-1,2,4-triazol-4-yl)pyrimidine?
The canonical SMILES for 4-methoxy-6-methyl-2-(3-methylsulfinyl-1,2,4-triazol-4-yl)pyrimidine is COc1cc(C)nc(-n2cnnc2S(C)=O)n1.
What is the InChIKey of 4-methoxy-6-methyl-2-(3-methylsulfinyl-1,2,4-triazol-4-yl)pyrimidine?
The InChIKey is AASAFWGWENFWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-6-4-7(16-2)12-8(11-6)14-5-10-13-9(14)17(3)15/h4-5H,1-3H3.
What are the key properties of 4-methoxy-6-methyl-2-(3-methylsulfinyl-1,2,4-triazol-4-yl)pyrimidine?
4-methoxy-6-methyl-2-(3-methylsulfinyl-1,2,4-triazol-4-yl)pyrimidine has a molecular weight of 253.29 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-2-(3-methylsulfinyl-1,2,4-triazol-4-yl)pyrimidine is sourced from PubChem (CID 154736542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).