6-(2,3-dimethylphenoxy)-N-methylpyrimidin-4-amine

C13H15N3O — CID 80864261

IUPAC6-(2,3-dimethylphenoxy)-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2cccc(C)c2C)ncn1
InChIInChI=1S/C13H15N3O/c1-9-5-4-6-11(10(9)2)17-13-7-12(14-3)15-8-16-13/h4-8H,1-3H3,(H,14,15,16)
InChIKeyVVOLXHYVBMKUKB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.93
Rot. Bonds3

About 6-(2,3-dimethylphenoxy)-N-methylpyrimidin-4-amine

6-(2,3-dimethylphenoxy)-N-methylpyrimidin-4-amine (PubChem CID 80864261) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-(2,3-dimethylphenoxy)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dimethylphenoxy)-N-methylpyrimidin-4-amine
PubChem CID80864261
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name6-(2,3-dimethylphenoxy)-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2cccc(C)c2C)ncn1
InChIInChI=1S/C13H15N3O/c1-9-5-4-6-11(10(9)2)17-13-7-12(14-3)15-8-16-13/h4-8H,1-3H3,(H,14,15,16)
InChIKeyVVOLXHYVBMKUKB-UHFFFAOYSA-N
XLogP2.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylphenoxy)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dimethylphenoxy)-N-methylpyrimidin-4-amine (CID 80864261) is 6-(2,3-dimethylphenoxy)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dimethylphenoxy)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dimethylphenoxy)-N-methylpyrimidin-4-amine is CNc1cc(Oc2cccc(C)c2C)ncn1.
What is the InChIKey of 6-(2,3-dimethylphenoxy)-N-methylpyrimidin-4-amine?
The InChIKey is VVOLXHYVBMKUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-5-4-6-11(10(9)2)17-13-7-12(14-3)15-8-16-13/h4-8H,1-3H3,(H,14,15,16).
What are the key properties of 6-(2,3-dimethylphenoxy)-N-methylpyrimidin-4-amine?
6-(2,3-dimethylphenoxy)-N-methylpyrimidin-4-amine has a molecular weight of 229.28 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylphenoxy)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80864261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).