2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine

C13H14FN3O — CID 63988949

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine
SMILESCOc1ccc(CC(N)c2ccncn2)cc1F
InChIInChI=1S/C13H14FN3O/c1-18-13-3-2-9(6-10(13)14)7-11(15)12-4-5-16-8-17-12/h2-6,8,11H,7,15H2,1H3
InChIKeyUZJFJERQDZUIFK-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.87
Rot. Bonds4

About 2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine

2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine (PubChem CID 63988949) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine
PubChem CID63988949
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine
SMILESCOc1ccc(CC(N)c2ccncn2)cc1F
InChIInChI=1S/C13H14FN3O/c1-18-13-3-2-9(6-10(13)14)7-11(15)12-4-5-16-8-17-12/h2-6,8,11H,7,15H2,1H3
InChIKeyUZJFJERQDZUIFK-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63990215
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine
CID 62605642
2-(3-fluoro-4-methoxyphenyl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107974205
2-(3,5-difluorophenyl)-1-pyrimidin-4-ylethanamine
CID 105406178
2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105122098
1-(3-fluoro-4-methoxyphenyl)-4-pyridin-4-ylbutan-2-amine
CID 105122524
2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethanamine
CID 105122196
2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115829866
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115829883
2-(2,5-difluorophenyl)-1-pyrimidin-4-ylethanamine
CID 63988739
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethanol
CID 55096330

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine (CID 63988949) is 2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine is COc1ccc(CC(N)c2ccncn2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine?
The InChIKey is UZJFJERQDZUIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-18-13-3-2-9(6-10(13)14)7-11(15)12-4-5-16-8-17-12/h2-6,8,11H,7,15H2,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine?
2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine has a molecular weight of 247.27 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine is sourced from PubChem (CID 63988949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).