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

C15H19N3O2 — CID 91633842

IUPACN-ethyl-6-(2-methoxy-4-methylphenoxy)-N-methylpyrimidin-4-amine
SMILESCCN(C)c1cc(Oc2ccc(C)cc2OC)ncn1
InChIInChI=1S/C15H19N3O2/c1-5-18(3)14-9-15(17-10-16-14)20-12-7-6-11(2)8-13(12)19-4/h6-10H,5H2,1-4H3
InChIKeyZANPFHCBORJTDI-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.04
Rot. Bonds5

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

N-ethyl-6-(2-methoxy-4-methylphenoxy)-N-methylpyrimidin-4-amine (PubChem CID 91633842) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-ethyl-6-(2-methoxy-4-methylphenoxy)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-methoxy-4-methylphenoxy)-N-methylpyrimidin-4-amine
PubChem CID91633842
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-ethyl-6-(2-methoxy-4-methylphenoxy)-N-methylpyrimidin-4-amine
SMILESCCN(C)c1cc(Oc2ccc(C)cc2OC)ncn1
InChIInChI=1S/C15H19N3O2/c1-5-18(3)14-9-15(17-10-16-14)20-12-7-6-11(2)8-13(12)19-4/h6-10H,5H2,1-4H3
InChIKeyZANPFHCBORJTDI-UHFFFAOYSA-N
XLogP3.04
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-methoxy-4-methylphenoxy)-N-methylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(2-methoxy-4-methylphenoxy)-N-methylpyrimidin-4-amine (CID 91633842) is N-ethyl-6-(2-methoxy-4-methylphenoxy)-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(2-methoxy-4-methylphenoxy)-N-methylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(2-methoxy-4-methylphenoxy)-N-methylpyrimidin-4-amine is CCN(C)c1cc(Oc2ccc(C)cc2OC)ncn1.
What is the InChIKey of N-ethyl-6-(2-methoxy-4-methylphenoxy)-N-methylpyrimidin-4-amine?
The InChIKey is ZANPFHCBORJTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-5-18(3)14-9-15(17-10-16-14)20-12-7-6-11(2)8-13(12)19-4/h6-10H,5H2,1-4H3.
What are the key properties of N-ethyl-6-(2-methoxy-4-methylphenoxy)-N-methylpyrimidin-4-amine?
N-ethyl-6-(2-methoxy-4-methylphenoxy)-N-methylpyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-methoxy-4-methylphenoxy)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 91633842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).