6-(2-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine

C15H19N3O2 — CID 80988180

IUPAC6-(2-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCOc1ccccc1Oc1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C15H19N3O2/c1-9(2)14-17-13(16)10(3)15(18-14)20-12-8-6-5-7-11(12)19-4/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyOPJJLBGSUATECO-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.29
Rot. Bonds4

About 6-(2-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-(2-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80988180) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-(2-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80988180
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-(2-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCOc1ccccc1Oc1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C15H19N3O2/c1-9(2)14-17-13(16)10(3)15(18-14)20-12-8-6-5-7-11(12)19-4/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyOPJJLBGSUATECO-UHFFFAOYSA-N
XLogP3.29
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80988180) is 6-(2-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine is COc1ccccc1Oc1nc(C(C)C)nc(N)c1C.
What is the InChIKey of 6-(2-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is OPJJLBGSUATECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9(2)14-17-13(16)10(3)15(18-14)20-12-8-6-5-7-11(12)19-4/h5-9H,1-4H3,(H2,16,17,18).
What are the key properties of 6-(2-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(2-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80988180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).