2-[6-(4-fluorophenyl)pyrimidin-4-yl]ethanamine

C12H12FN3 — CID 83849204

IUPAC2-[6-(4-fluorophenyl)pyrimidin-4-yl]ethanamine
SMILESNCCc1cc(-c2ccc(F)cc2)ncn1
InChIInChI=1S/C12H12FN3/c13-10-3-1-9(2-4-10)12-7-11(5-6-14)15-8-16-12/h1-4,7-8H,5-6,14H2
InChIKeyGYSZUGGAISRLHL-UHFFFAOYSA-N
MW217.25 g/mol
LogP1.78
Rot. Bonds3

About 2-[6-(4-fluorophenyl)pyrimidin-4-yl]ethanamine

2-[6-(4-fluorophenyl)pyrimidin-4-yl]ethanamine (PubChem CID 83849204) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)pyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)pyrimidin-4-yl]ethanamine
PubChem CID83849204
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name2-[6-(4-fluorophenyl)pyrimidin-4-yl]ethanamine
SMILESNCCc1cc(-c2ccc(F)cc2)ncn1
InChIInChI=1S/C12H12FN3/c13-10-3-1-9(2-4-10)12-7-11(5-6-14)15-8-16-12/h1-4,7-8H,5-6,14H2
InChIKeyGYSZUGGAISRLHL-UHFFFAOYSA-N
XLogP1.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[6-(4-fluorophenyl)pyrimidin-4-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

Related Compounds

2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine
CID 83850617
2-(6-pyridin-4-ylpyrimidin-4-yl)ethanamine
CID 83847964
2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]ethanamine
CID 62745037
4-bromo-6-(4-fluorophenyl)pyrimidine
CID 589892
[6-(4-bromophenyl)pyrimidin-4-yl]methanamine;hydrochloride
CID 82022750
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 122262823
3,4-difluoro-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzenesulfonamide
CID 122263214
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 122262877
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide
CID 122262814
4-(3,4-difluorophenyl)-6-ethylpyrimidine
CID 57247663
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide
CID 122262878
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 122262849

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)pyrimidin-4-yl]ethanamine?
The IUPAC name of 2-[6-(4-fluorophenyl)pyrimidin-4-yl]ethanamine (CID 83849204) is 2-[6-(4-fluorophenyl)pyrimidin-4-yl]ethanamine.
What is the SMILES notation for 2-[6-(4-fluorophenyl)pyrimidin-4-yl]ethanamine?
The canonical SMILES for 2-[6-(4-fluorophenyl)pyrimidin-4-yl]ethanamine is NCCc1cc(-c2ccc(F)cc2)ncn1.
What is the InChIKey of 2-[6-(4-fluorophenyl)pyrimidin-4-yl]ethanamine?
The InChIKey is GYSZUGGAISRLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c13-10-3-1-9(2-4-10)12-7-11(5-6-14)15-8-16-12/h1-4,7-8H,5-6,14H2.
What are the key properties of 2-[6-(4-fluorophenyl)pyrimidin-4-yl]ethanamine?
2-[6-(4-fluorophenyl)pyrimidin-4-yl]ethanamine has a molecular weight of 217.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)pyrimidin-4-yl]ethanamine is sourced from PubChem (CID 83849204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).