4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine

C15H19N3O — CID 80864393

IUPAC4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(Oc2cc(C)cc(C)c2)n1
InChIInChI=1S/C15H19N3O/c1-5-16-15-17-12(4)9-14(18-15)19-13-7-10(2)6-11(3)8-13/h6-9H,5H2,1-4H3,(H,16,17,18)
InChIKeyAAHDEGJVDGALIH-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.63
Rot. Bonds4

About 4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine

4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine (PubChem CID 80864393) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
PubChem CID80864393
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(Oc2cc(C)cc(C)c2)n1
InChIInChI=1S/C15H19N3O/c1-5-16-15-17-12(4)9-14(18-15)19-13-7-10(2)6-11(3)8-13/h6-9H,5H2,1-4H3,(H,16,17,18)
InChIKeyAAHDEGJVDGALIH-UHFFFAOYSA-N
XLogP3.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine (CID 80864393) is 4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine is CCNc1nc(C)cc(Oc2cc(C)cc(C)c2)n1.
What is the InChIKey of 4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine?
The InChIKey is AAHDEGJVDGALIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-5-16-15-17-12(4)9-14(18-15)19-13-7-10(2)6-11(3)8-13/h6-9H,5H2,1-4H3,(H,16,17,18).
What are the key properties of 4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine?
4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 80864393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).