N-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine

C15H19N3O2 — CID 83189135

IUPACN-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2cccc(OC)c2)nc1C
InChIInChI=1S/C15H19N3O2/c1-4-16-9-12-10-17-15(18-11(12)2)20-14-7-5-6-13(8-14)19-3/h5-8,10,16H,4,9H2,1-3H3
InChIKeyHRBAKQIKRVYRFI-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.70
Rot. Bonds6

About N-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine

N-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine (PubChem CID 83189135) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
PubChem CID83189135
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2cccc(OC)c2)nc1C
InChIInChI=1S/C15H19N3O2/c1-4-16-9-12-10-17-15(18-11(12)2)20-14-7-5-6-13(8-14)19-3/h5-8,10,16H,4,9H2,1-3H3
InChIKeyHRBAKQIKRVYRFI-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83187491
1-[2-(3,5-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83185420
N-[[2-(5-chloro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189159
N-[[2-(3-bromo-5-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83195724
N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928088
N-[[2-(2-fluoro-5-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189385
N-[[4-methyl-2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]ethanamine
CID 116803018
N-[[2-(3-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 83187072
[3-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]methanol
CID 83184825
N-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 103175513
N-[[2-(3,4-difluorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83188179
N-[[2-(4-fluoro-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83188621

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine (CID 83189135) is N-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(Oc2cccc(OC)c2)nc1C.
What is the InChIKey of N-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine?
The InChIKey is HRBAKQIKRVYRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-16-9-12-10-17-15(18-11(12)2)20-14-7-5-6-13(8-14)19-3/h5-8,10,16H,4,9H2,1-3H3.
What are the key properties of N-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine?
N-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine has a molecular weight of 273.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 83189135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).