N-[[2-(2-fluoro-5-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine

C15H18FN3O — CID 83189385

IUPACN-[[2-(2-fluoro-5-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2cc(C)ccc2F)nc1C
InChIInChI=1S/C15H18FN3O/c1-4-17-8-12-9-18-15(19-11(12)3)20-14-7-10(2)5-6-13(14)16/h5-7,9,17H,4,8H2,1-3H3
InChIKeyIXVYFIIYHNDEFY-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.13
Rot. Bonds5

About N-[[2-(2-fluoro-5-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine

N-[[2-(2-fluoro-5-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine (PubChem CID 83189385) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[[2-(2-fluoro-5-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-fluoro-5-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
PubChem CID83189385
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[[2-(2-fluoro-5-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2cc(C)ccc2F)nc1C
InChIInChI=1S/C15H18FN3O/c1-4-17-8-12-9-18-15(19-11(12)3)20-14-7-10(2)5-6-13(14)16/h5-7,9,17H,4,8H2,1-3H3
InChIKeyIXVYFIIYHNDEFY-UHFFFAOYSA-N
XLogP3.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(5-chloro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189159
N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928781
N-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 103175513
N-[[2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 107660821
N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107382235
N-[[2-(3,4-difluorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83188179
N-[[2-(3-bromo-5-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83195724
[2-(2,5-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83188778
N-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189135
N-[[2-(4-fluoro-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83188621
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-[[6-(2-fluoro-5-methylphenoxy)pyridazin-3-yl]methyl]ethanamine
CID 64856226

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoro-5-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-fluoro-5-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine (CID 83189385) is N-[[2-(2-fluoro-5-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-fluoro-5-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-fluoro-5-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(Oc2cc(C)ccc2F)nc1C.
What is the InChIKey of N-[[2-(2-fluoro-5-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine?
The InChIKey is IXVYFIIYHNDEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-4-17-8-12-9-18-15(19-11(12)3)20-14-7-10(2)5-6-13(14)16/h5-7,9,17H,4,8H2,1-3H3.
What are the key properties of N-[[2-(2-fluoro-5-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine?
N-[[2-(2-fluoro-5-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine has a molecular weight of 275.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoro-5-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 83189385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).