methyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate

C14H14N2O3S — CID 705813

IUPACmethyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate
SMILESCOC(=O)c1ccc(Oc2cc(C)nc(SC)n2)cc1
InChIInChI=1S/C14H14N2O3S/c1-9-8-12(16-14(15-9)20-3)19-11-6-4-10(5-7-11)13(17)18-2/h4-8H,1-3H3
InChIKeyGSTBPJFTFPVCCQ-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.09
Rot. Bonds4

About methyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate

methyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate (PubChem CID 705813) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is methyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate
PubChem CID705813
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Namemethyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate
SMILESCOC(=O)c1ccc(Oc2cc(C)nc(SC)n2)cc1
InChIInChI=1S/C14H14N2O3S/c1-9-8-12(16-14(15-9)20-3)19-11-6-4-10(5-7-11)13(17)18-2/h4-8H,1-3H3
InChIKeyGSTBPJFTFPVCCQ-UHFFFAOYSA-N
XLogP3.09
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate?
The IUPAC name of methyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate (CID 705813) is methyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate.
What is the SMILES notation for methyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate?
The canonical SMILES for methyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate is COC(=O)c1ccc(Oc2cc(C)nc(SC)n2)cc1.
What is the InChIKey of methyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate?
The InChIKey is GSTBPJFTFPVCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9-8-12(16-14(15-9)20-3)19-11-6-4-10(5-7-11)13(17)18-2/h4-8H,1-3H3.
What are the key properties of methyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate?
methyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate has a molecular weight of 290.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate is sourced from PubChem (CID 705813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).