1-[5-(3-fluoro-2-methylphenyl)pyrimidin-2-yl]ethanamine

C13H14FN3 — CID 89479732

IUPAC1-[5-(3-fluoro-2-methylphenyl)pyrimidin-2-yl]ethanamine
SMILESCc1c(F)cccc1-c1cnc(C(C)N)nc1
InChIInChI=1S/C13H14FN3/c1-8-11(4-3-5-12(8)14)10-6-16-13(9(2)15)17-7-10/h3-7,9H,15H2,1-2H3
InChIKeyWCQKXVBOHGKMLH-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.61
Rot. Bonds2

About 1-[5-(3-fluoro-2-methylphenyl)pyrimidin-2-yl]ethanamine

1-[5-(3-fluoro-2-methylphenyl)pyrimidin-2-yl]ethanamine (PubChem CID 89479732) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 1-[5-(3-fluoro-2-methylphenyl)pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(3-fluoro-2-methylphenyl)pyrimidin-2-yl]ethanamine
PubChem CID89479732
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name1-[5-(3-fluoro-2-methylphenyl)pyrimidin-2-yl]ethanamine
SMILESCc1c(F)cccc1-c1cnc(C(C)N)nc1
InChIInChI=1S/C13H14FN3/c1-8-11(4-3-5-12(8)14)10-6-16-13(9(2)15)17-7-10/h3-7,9H,15H2,1-2H3
InChIKeyWCQKXVBOHGKMLH-UHFFFAOYSA-N
XLogP2.61
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-(3-fluoro-2-methylphenyl)pyrimidin-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluoro-2-methylphenyl)pyrimidin-2-yl]ethanamine?
The IUPAC name of 1-[5-(3-fluoro-2-methylphenyl)pyrimidin-2-yl]ethanamine (CID 89479732) is 1-[5-(3-fluoro-2-methylphenyl)pyrimidin-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(3-fluoro-2-methylphenyl)pyrimidin-2-yl]ethanamine?
The canonical SMILES for 1-[5-(3-fluoro-2-methylphenyl)pyrimidin-2-yl]ethanamine is Cc1c(F)cccc1-c1cnc(C(C)N)nc1.
What is the InChIKey of 1-[5-(3-fluoro-2-methylphenyl)pyrimidin-2-yl]ethanamine?
The InChIKey is WCQKXVBOHGKMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-8-11(4-3-5-12(8)14)10-6-16-13(9(2)15)17-7-10/h3-7,9H,15H2,1-2H3.
What are the key properties of 1-[5-(3-fluoro-2-methylphenyl)pyrimidin-2-yl]ethanamine?
1-[5-(3-fluoro-2-methylphenyl)pyrimidin-2-yl]ethanamine has a molecular weight of 231.27 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluoro-2-methylphenyl)pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 89479732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).