2-(3,5-difluorophenyl)-1-pyrimidin-4-ylethanamine

C12H11F2N3 — CID 105406178

IUPAC2-(3,5-difluorophenyl)-1-pyrimidin-4-ylethanamine
SMILESNC(Cc1cc(F)cc(F)c1)c1ccncn1
InChIInChI=1S/C12H11F2N3/c13-9-3-8(4-10(14)6-9)5-11(15)12-1-2-16-7-17-12/h1-4,6-7,11H,5,15H2
InChIKeyXGEPQHAQHZQTEU-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.00
Rot. Bonds3

About 2-(3,5-difluorophenyl)-1-pyrimidin-4-ylethanamine

2-(3,5-difluorophenyl)-1-pyrimidin-4-ylethanamine (PubChem CID 105406178) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-pyrimidin-4-ylethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-pyrimidin-4-ylethanamine
PubChem CID105406178
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name2-(3,5-difluorophenyl)-1-pyrimidin-4-ylethanamine
SMILESNC(Cc1cc(F)cc(F)c1)c1ccncn1
InChIInChI=1S/C12H11F2N3/c13-9-3-8(4-10(14)6-9)5-11(15)12-1-2-16-7-17-12/h1-4,6-7,11H,5,15H2
InChIKeyXGEPQHAQHZQTEU-UHFFFAOYSA-N
XLogP2.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-difluorophenyl)-1-pyrimidin-4-ylethanamine 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-(2,5-difluorophenyl)-1-pyrimidin-4-ylethanamine
CID 63988739
2-(2-bromo-4-fluorophenyl)-1-pyrimidin-4-ylethanamine
CID 63989148
2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine
CID 63988949
2-(3-bromophenyl)-1-pyrimidin-4-ylethanamine
CID 63987893
2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
CID 63989977
2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine
CID 79702482
2-(1-ethylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
CID 63989978
2-(3,5-difluorophenyl)-1-pyridin-3-ylethanamine
CID 54959804
(1S)-2-(3,5-difluorophenyl)-1-(5-isoquinolin-6-ylpyrimidin-4-yl)ethanamine
CID 71187544
2-(3-fluorophenyl)-1-pyridin-2-ylethanamine
CID 60819500
N-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 63987713
1-pyrimidin-4-yldecan-1-amine
CID 63989976

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-pyrimidin-4-ylethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-pyrimidin-4-ylethanamine (CID 105406178) is 2-(3,5-difluorophenyl)-1-pyrimidin-4-ylethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-pyrimidin-4-ylethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-pyrimidin-4-ylethanamine is NC(Cc1cc(F)cc(F)c1)c1ccncn1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-pyrimidin-4-ylethanamine?
The InChIKey is XGEPQHAQHZQTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c13-9-3-8(4-10(14)6-9)5-11(15)12-1-2-16-7-17-12/h1-4,6-7,11H,5,15H2.
What are the key properties of 2-(3,5-difluorophenyl)-1-pyrimidin-4-ylethanamine?
2-(3,5-difluorophenyl)-1-pyrimidin-4-ylethanamine has a molecular weight of 235.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-pyrimidin-4-ylethanamine is sourced from PubChem (CID 105406178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).