2-[2-(4-fluoro-2-methylphenyl)pyrimidin-5-yl]ethanamine

C13H14FN3 — CID 81277520

IUPAC2-[2-(4-fluoro-2-methylphenyl)pyrimidin-5-yl]ethanamine
SMILESCc1cc(F)ccc1-c1ncc(CCN)cn1
InChIInChI=1S/C13H14FN3/c1-9-6-11(14)2-3-12(9)13-16-7-10(4-5-15)8-17-13/h2-3,6-8H,4-5,15H2,1H3
InChIKeySWBDQINKIRGGEI-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.09
Rot. Bonds3

About 2-[2-(4-fluoro-2-methylphenyl)pyrimidin-5-yl]ethanamine

2-[2-(4-fluoro-2-methylphenyl)pyrimidin-5-yl]ethanamine (PubChem CID 81277520) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-[2-(4-fluoro-2-methylphenyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-fluoro-2-methylphenyl)pyrimidin-5-yl]ethanamine
PubChem CID81277520
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name2-[2-(4-fluoro-2-methylphenyl)pyrimidin-5-yl]ethanamine
SMILESCc1cc(F)ccc1-c1ncc(CCN)cn1
InChIInChI=1S/C13H14FN3/c1-9-6-11(14)2-3-12(9)13-16-7-10(4-5-15)8-17-13/h2-3,6-8H,4-5,15H2,1H3
InChIKeySWBDQINKIRGGEI-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-2-methylphenyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[2-(4-fluoro-2-methylphenyl)pyrimidin-5-yl]ethanamine (CID 81277520) is 2-[2-(4-fluoro-2-methylphenyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(4-fluoro-2-methylphenyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[2-(4-fluoro-2-methylphenyl)pyrimidin-5-yl]ethanamine is Cc1cc(F)ccc1-c1ncc(CCN)cn1.
What is the InChIKey of 2-[2-(4-fluoro-2-methylphenyl)pyrimidin-5-yl]ethanamine?
The InChIKey is SWBDQINKIRGGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-9-6-11(14)2-3-12(9)13-16-7-10(4-5-15)8-17-13/h2-3,6-8H,4-5,15H2,1H3.
What are the key properties of 2-[2-(4-fluoro-2-methylphenyl)pyrimidin-5-yl]ethanamine?
2-[2-(4-fluoro-2-methylphenyl)pyrimidin-5-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-2-methylphenyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 81277520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).