2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine

C13H14FN3 — CID 62745029

IUPAC2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine
SMILESCc1cc(-c2nccc(CCN)n2)ccc1F
InChIInChI=1S/C13H14FN3/c1-9-8-10(2-3-12(9)14)13-16-7-5-11(17-13)4-6-15/h2-3,5,7-8H,4,6,15H2,1H3
InChIKeyPICPYFAYZBBQEU-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.09
Rot. Bonds3

About 2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine

2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine (PubChem CID 62745029) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine
PubChem CID62745029
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine
SMILESCc1cc(-c2nccc(CCN)n2)ccc1F
InChIInChI=1S/C13H14FN3/c1-9-8-10(2-3-12(9)14)13-16-7-5-11(17-13)4-6-15/h2-3,5,7-8H,4,6,15H2,1H3
InChIKeyPICPYFAYZBBQEU-UHFFFAOYSA-N
XLogP2.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine?
The IUPAC name of 2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine (CID 62745029) is 2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine?
The canonical SMILES for 2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine is Cc1cc(-c2nccc(CCN)n2)ccc1F.
What is the InChIKey of 2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine?
The InChIKey is PICPYFAYZBBQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-9-8-10(2-3-12(9)14)13-16-7-5-11(17-13)4-6-15/h2-3,5,7-8H,4,6,15H2,1H3.
What are the key properties of 2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine?
2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine has a molecular weight of 231.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine is sourced from PubChem (CID 62745029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).