2-ethyl-6-[3-(methoxymethyl)phenoxy]pyrimidin-4-amine

C14H17N3O2 — CID 80941964

IUPAC2-ethyl-6-[3-(methoxymethyl)phenoxy]pyrimidin-4-amine
SMILESCCc1nc(N)cc(Oc2cccc(COC)c2)n1
InChIInChI=1S/C14H17N3O2/c1-3-13-16-12(15)8-14(17-13)19-11-6-4-5-10(7-11)9-18-2/h4-8H,3,9H2,1-2H3,(H2,15,16,17)
InChIKeyIMCNPZILIAVMPB-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.56
Rot. Bonds5

About 2-ethyl-6-[3-(methoxymethyl)phenoxy]pyrimidin-4-amine

2-ethyl-6-[3-(methoxymethyl)phenoxy]pyrimidin-4-amine (PubChem CID 80941964) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-ethyl-6-[3-(methoxymethyl)phenoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-[3-(methoxymethyl)phenoxy]pyrimidin-4-amine
PubChem CID80941964
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-ethyl-6-[3-(methoxymethyl)phenoxy]pyrimidin-4-amine
SMILESCCc1nc(N)cc(Oc2cccc(COC)c2)n1
InChIInChI=1S/C14H17N3O2/c1-3-13-16-12(15)8-14(17-13)19-11-6-4-5-10(7-11)9-18-2/h4-8H,3,9H2,1-2H3,(H2,15,16,17)
InChIKeyIMCNPZILIAVMPB-UHFFFAOYSA-N
XLogP2.56
TPSA70.26 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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(dimethylamino)phenoxy]-2-ethylpyrimidin-4-amine
CID 80941864
6-[(3-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine
CID 80942588
4-chloro-6-[3-(methoxymethyl)phenoxy]-2-methylpyrimidine
CID 63986769
2-ethyl-6-(2-methoxyphenoxy)pyrimidin-4-amine
CID 80941255
6-[3-(methoxymethyl)phenoxy]-2-propoxypyridin-3-amine
CID 63986940
6-(3-chloro-4-fluorophenoxy)-2-ethylpyrimidin-4-amine
CID 80942481
2-[3-(methoxymethyl)phenoxy]pyridine
CID 174239052
6-[3-(methoxymethyl)phenoxy]-N-methylpyridin-2-amine
CID 80876349
6-[3-(methoxymethyl)phenoxy]pyridine-2-carbothioamide
CID 64593563
2-(methoxymethyl)-6-quinolin-7-yloxypyrimidin-4-amine
CID 107315860
2-chloro-6-[3-(methoxymethyl)phenoxy]pyrazine
CID 63985764
3-[3-(methoxymethyl)phenoxy]quinoxalin-2-amine
CID 102988229

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[3-(methoxymethyl)phenoxy]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-[3-(methoxymethyl)phenoxy]pyrimidin-4-amine (CID 80941964) is 2-ethyl-6-[3-(methoxymethyl)phenoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-[3-(methoxymethyl)phenoxy]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-[3-(methoxymethyl)phenoxy]pyrimidin-4-amine is CCc1nc(N)cc(Oc2cccc(COC)c2)n1.
What is the InChIKey of 2-ethyl-6-[3-(methoxymethyl)phenoxy]pyrimidin-4-amine?
The InChIKey is IMCNPZILIAVMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-13-16-12(15)8-14(17-13)19-11-6-4-5-10(7-11)9-18-2/h4-8H,3,9H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-ethyl-6-[3-(methoxymethyl)phenoxy]pyrimidin-4-amine?
2-ethyl-6-[3-(methoxymethyl)phenoxy]pyrimidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 2.56, 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-(methoxymethyl)phenoxy]pyrimidin-4-amine is sourced from PubChem (CID 80941964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).