6-(2-methoxyphenoxy)-N-methyl-2-propan-2-ylpyrimidin-4-amine

C15H19N3O2 — CID 80966343

IUPAC6-(2-methoxyphenoxy)-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(Oc2ccccc2OC)nc(C(C)C)n1
InChIInChI=1S/C15H19N3O2/c1-10(2)15-17-13(16-3)9-14(18-15)20-12-8-6-5-7-11(12)19-4/h5-10H,1-4H3,(H,16,17,18)
InChIKeyXMAHFTLUMAUODE-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.44
Rot. Bonds5

About 6-(2-methoxyphenoxy)-N-methyl-2-propan-2-ylpyrimidin-4-amine

6-(2-methoxyphenoxy)-N-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80966343) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-(2-methoxyphenoxy)-N-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyphenoxy)-N-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80966343
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-(2-methoxyphenoxy)-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(Oc2ccccc2OC)nc(C(C)C)n1
InChIInChI=1S/C15H19N3O2/c1-10(2)15-17-13(16-3)9-14(18-15)20-12-8-6-5-7-11(12)19-4/h5-10H,1-4H3,(H,16,17,18)
InChIKeyXMAHFTLUMAUODE-UHFFFAOYSA-N
XLogP3.44
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenoxy)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyphenoxy)-N-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80966343) is 6-(2-methoxyphenoxy)-N-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyphenoxy)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyphenoxy)-N-methyl-2-propan-2-ylpyrimidin-4-amine is CNc1cc(Oc2ccccc2OC)nc(C(C)C)n1.
What is the InChIKey of 6-(2-methoxyphenoxy)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is XMAHFTLUMAUODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)15-17-13(16-3)9-14(18-15)20-12-8-6-5-7-11(12)19-4/h5-10H,1-4H3,(H,16,17,18).
What are the key properties of 6-(2-methoxyphenoxy)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(2-methoxyphenoxy)-N-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenoxy)-N-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80966343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).