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

C15H19N3O — CID 80864394

IUPAC6-(3,5-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(Oc2cc(C)cc(C)c2)c1C
InChIInChI=1S/C15H19N3O/c1-9-6-10(2)8-13(7-9)19-15-11(3)14(16-5)17-12(4)18-15/h6-8H,1-5H3,(H,16,17,18)
InChIKeyTXZRNIBKWYFAMT-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.54
Rot. Bonds3

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

6-(3,5-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine (PubChem CID 80864394) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-(3,5-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
PubChem CID80864394
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-(3,5-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(Oc2cc(C)cc(C)c2)c1C
InChIInChI=1S/C15H19N3O/c1-9-6-10(2)8-13(7-9)19-15-11(3)14(16-5)17-12(4)18-15/h6-8H,1-5H3,(H,16,17,18)
InChIKeyTXZRNIBKWYFAMT-UHFFFAOYSA-N
XLogP3.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine (CID 80864394) is 6-(3,5-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine is CNc1nc(C)nc(Oc2cc(C)cc(C)c2)c1C.
What is the InChIKey of 6-(3,5-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine?
The InChIKey is TXZRNIBKWYFAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-6-10(2)8-13(7-9)19-15-11(3)14(16-5)17-12(4)18-15/h6-8H,1-5H3,(H,16,17,18).
What are the key properties of 6-(3,5-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine?
6-(3,5-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 80864394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).