2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine

C14H17N3O2 — CID 80942141

IUPAC2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(Oc2cccc(OC)c2)n1
InChIInChI=1S/C14H17N3O2/c1-4-12-16-13(15-2)9-14(17-12)19-11-7-5-6-10(8-11)18-3/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyFRRNRPWYZKXXNG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.88
Rot. Bonds5

About 2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine

2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine (PubChem CID 80942141) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine
PubChem CID80942141
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(Oc2cccc(OC)c2)n1
InChIInChI=1S/C14H17N3O2/c1-4-12-16-13(15-2)9-14(17-12)19-11-7-5-6-10(8-11)18-3/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyFRRNRPWYZKXXNG-UHFFFAOYSA-N
XLogP2.88
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-yl]hydrazine
CID 80940048
6-(3-bromophenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80941647
3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80941056
2-ethyl-6-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 80936313
6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80950205
2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine
CID 80938850
[6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80939353
(2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine
CID 80939130
2-ethyl-N-methyl-6-(4-nitrophenoxy)pyrimidin-4-amine
CID 80942472
6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 104708809
2-ethyl-N-methyl-6-quinolin-8-yloxypyrimidin-4-amine
CID 80938865
6-[3-(dimethylamino)phenoxy]-N,2-diethylpyrimidin-4-amine
CID 80939069

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine (CID 80942141) is 2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine is CCc1nc(NC)cc(Oc2cccc(OC)c2)n1.
What is the InChIKey of 2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine?
The InChIKey is FRRNRPWYZKXXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-12-16-13(15-2)9-14(17-12)19-11-7-5-6-10(8-11)18-3/h5-9H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine?
2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80942141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).