6-(2-fluoro-3-methylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine

C13H14FN3OS — CID 107662702

IUPAC6-(2-fluoro-3-methylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(Oc2cccc(C)c2F)nc(SC)n1
InChIInChI=1S/C13H14FN3OS/c1-8-5-4-6-9(12(8)14)18-11-7-10(15-2)16-13(17-11)19-3/h4-7H,1-3H3,(H,15,16,17)
InChIKeyMEXJMGYUQIQAMA-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.48
Rot. Bonds4

About 6-(2-fluoro-3-methylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine

6-(2-fluoro-3-methylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 107662702) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-(2-fluoro-3-methylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-fluoro-3-methylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID107662702
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name6-(2-fluoro-3-methylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(Oc2cccc(C)c2F)nc(SC)n1
InChIInChI=1S/C13H14FN3OS/c1-8-5-4-6-9(12(8)14)18-11-7-10(15-2)16-13(17-11)19-3/h4-7H,1-3H3,(H,15,16,17)
InChIKeyMEXJMGYUQIQAMA-UHFFFAOYSA-N
XLogP3.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-methylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-(2-fluoro-3-methylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 107662702) is 6-(2-fluoro-3-methylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-fluoro-3-methylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-(2-fluoro-3-methylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine is CNc1cc(Oc2cccc(C)c2F)nc(SC)n1.
What is the InChIKey of 6-(2-fluoro-3-methylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is MEXJMGYUQIQAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-8-5-4-6-9(12(8)14)18-11-7-10(15-2)16-13(17-11)19-3/h4-7H,1-3H3,(H,15,16,17).
What are the key properties of 6-(2-fluoro-3-methylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
6-(2-fluoro-3-methylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 279.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3-methylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 107662702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).