2-[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]ethanamine

C13H14FN3O — CID 107661759

IUPAC2-[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]ethanamine
SMILESCc1cccc(Oc2ncc(CCN)cn2)c1F
InChIInChI=1S/C13H14FN3O/c1-9-3-2-4-11(12(9)14)18-13-16-7-10(5-6-15)8-17-13/h2-4,7-8H,5-6,15H2,1H3
InChIKeyFBIICKPFMWRMKI-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.22
Rot. Bonds4

About 2-[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]ethanamine

2-[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]ethanamine (PubChem CID 107661759) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]ethanamine
PubChem CID107661759
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]ethanamine
SMILESCc1cccc(Oc2ncc(CCN)cn2)c1F
InChIInChI=1S/C13H14FN3O/c1-9-3-2-4-11(12(9)14)18-13-16-7-10(5-6-15)8-17-13/h2-4,7-8H,5-6,15H2,1H3
InChIKeyFBIICKPFMWRMKI-UHFFFAOYSA-N
XLogP2.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine
CID 107659620
N-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 107659623
5-(bromomethyl)-2-(2,3-difluorophenoxy)pyrimidine
CID 107088439
[6-(2,3-difluorophenoxy)-5-methyl-3-pyridinyl]methanamine;hydrochloride
CID 157448294
2-[6-(2,3-dimethylphenoxy)-3-pyridinyl]ethanamine
CID 80640428
[6-[(2-fluoro-3-methylphenoxy)methyl]-3-pyridinyl]methanamine
CID 107661220
[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189525
2-(2-fluoro-3-methylphenoxy)pyrimidin-4-amine
CID 107662449
[1-(2-fluoro-3-methylphenoxy)isoquinolin-4-yl]methanamine
CID 107660852
2-[2-(2-bromo-4-methoxyphenoxy)pyrimidin-5-yl]ethanamine
CID 104708629
N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]ethanamine
CID 116689543
2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80640534

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]ethanamine (CID 107661759) is 2-[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]ethanamine is Cc1cccc(Oc2ncc(CCN)cn2)c1F.
What is the InChIKey of 2-[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]ethanamine?
The InChIKey is FBIICKPFMWRMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9-3-2-4-11(12(9)14)18-13-16-7-10(5-6-15)8-17-13/h2-4,7-8H,5-6,15H2,1H3.
What are the key properties of 2-[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]ethanamine?
2-[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]ethanamine has a molecular weight of 247.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 107661759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).