6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-amine

C13H15N3OS — CID 80875016

IUPAC6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-amine
SMILESCCc1ccccc1Oc1cc(N)nc(SC)n1
InChIInChI=1S/C13H15N3OS/c1-3-9-6-4-5-7-10(9)17-12-8-11(14)15-13(16-12)18-2/h4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeyBKRQABJUJRCADJ-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.14
Rot. Bonds4

About 6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-amine

6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80875016) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-amine
PubChem CID80875016
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-amine
SMILESCCc1ccccc1Oc1cc(N)nc(SC)n1
InChIInChI=1S/C13H15N3OS/c1-3-9-6-4-5-7-10(9)17-12-8-11(14)15-13(16-12)18-2/h4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeyBKRQABJUJRCADJ-UHFFFAOYSA-N
XLogP3.14
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-amine (CID 80875016) is 6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-amine is CCc1ccccc1Oc1cc(N)nc(SC)n1.
What is the InChIKey of 6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is BKRQABJUJRCADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-3-9-6-4-5-7-10(9)17-12-8-11(14)15-13(16-12)18-2/h4-8H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-amine?
6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 261.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80875016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).