6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-amine

C15H19N3O — CID 80966556

IUPAC6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1ccc(C)c(Oc2cc(N)nc(C(C)C)n2)c1
InChIInChI=1S/C15H19N3O/c1-9(2)15-17-13(16)8-14(18-15)19-12-7-10(3)5-6-11(12)4/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyFPXHBRMWARCSIN-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.59
Rot. Bonds3

About 6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-amine

6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80966556) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80966556
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1ccc(C)c(Oc2cc(N)nc(C(C)C)n2)c1
InChIInChI=1S/C15H19N3O/c1-9(2)15-17-13(16)8-14(18-15)19-12-7-10(3)5-6-11(12)4/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyFPXHBRMWARCSIN-UHFFFAOYSA-N
XLogP3.59
TPSA61.03 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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-amine (CID 80966556) is 6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-amine is Cc1ccc(C)c(Oc2cc(N)nc(C(C)C)n2)c1.
What is the InChIKey of 6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is FPXHBRMWARCSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9(2)15-17-13(16)8-14(18-15)19-12-7-10(3)5-6-11(12)4/h5-9H,1-4H3,(H2,16,17,18).
What are the key properties of 6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-amine?
6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80966556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).