5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine

C15H19N3O2 — CID 80876118

IUPAC5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1Oc1cccc(COC)c1
InChIInChI=1S/C15H19N3O2/c1-4-13-14(16-2)17-10-18-15(13)20-12-7-5-6-11(8-12)9-19-3/h5-8,10H,4,9H2,1-3H3,(H,16,17,18)
InChIKeyQWIOLBRIZSQCIQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.02
Rot. Bonds6

About 5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine

5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine (PubChem CID 80876118) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
PubChem CID80876118
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1Oc1cccc(COC)c1
InChIInChI=1S/C15H19N3O2/c1-4-13-14(16-2)17-10-18-15(13)20-12-7-5-6-11(8-12)9-19-3/h5-8,10H,4,9H2,1-3H3,(H,16,17,18)
InChIKeyQWIOLBRIZSQCIQ-UHFFFAOYSA-N
XLogP3.02
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine
CID 80876347
6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 80876248
5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880121
6-[3-(methoxymethyl)phenoxy]-N-methylpyridin-2-amine
CID 80876349
6-[(3-methoxyphenyl)methoxy]-N,5-dimethylpyrimidin-4-amine
CID 80867778
5-bromo-4-chloro-6-[3-(methoxymethyl)phenoxy]pyrimidine
CID 114071639
6-(2,3-dimethylphenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80864818
5-ethyl-6-[(4-methoxyphenyl)methoxy]-N-methylpyrimidin-4-amine
CID 80867429
[6-(3-bromophenoxy)-5-ethylpyrimidin-4-yl]hydrazine
CID 80915780
[3-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]methanol
CID 80872602
6-(3-chlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80869356
3-[6-(methylamino)-5-propylpyrimidin-4-yl]oxybenzonitrile
CID 80863215

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine (CID 80876118) is 5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine is CCc1c(NC)ncnc1Oc1cccc(COC)c1.
What is the InChIKey of 5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine?
The InChIKey is QWIOLBRIZSQCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-13-14(16-2)17-10-18-15(13)20-12-7-5-6-11(8-12)9-19-3/h5-8,10H,4,9H2,1-3H3,(H,16,17,18).
What are the key properties of 5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine?
5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80876118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).