2-ethyl-6-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-4-amine

C15H19N3O2 — CID 80989583

IUPAC2-ethyl-6-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(Oc2ccc(C)cc2OC)n1
InChIInChI=1S/C15H19N3O2/c1-5-13-17-14(16)10(3)15(18-13)20-11-7-6-9(2)8-12(11)19-4/h6-8H,5H2,1-4H3,(H2,16,17,18)
InChIKeyCTJRHZGMFUTORU-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.04
Rot. Bonds4

About 2-ethyl-6-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-4-amine

2-ethyl-6-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-4-amine (PubChem CID 80989583) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-ethyl-6-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-4-amine
PubChem CID80989583
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-ethyl-6-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(Oc2ccc(C)cc2OC)n1
InChIInChI=1S/C15H19N3O2/c1-5-13-17-14(16)10(3)15(18-13)20-11-7-6-9(2)8-12(11)19-4/h6-8H,5H2,1-4H3,(H2,16,17,18)
InChIKeyCTJRHZGMFUTORU-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-4-amine (CID 80989583) is 2-ethyl-6-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-4-amine is CCc1nc(N)c(C)c(Oc2ccc(C)cc2OC)n1.
What is the InChIKey of 2-ethyl-6-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-4-amine?
The InChIKey is CTJRHZGMFUTORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-5-13-17-14(16)10(3)15(18-13)20-11-7-6-9(2)8-12(11)19-4/h6-8H,5H2,1-4H3,(H2,16,17,18).
What are the key properties of 2-ethyl-6-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-4-amine?
2-ethyl-6-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80989583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).