N-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine

C13H13F2N3 — CID 62491730

IUPACN-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1cncnc1)c1cc(F)cc(F)c1
InChIInChI=1S/C13H13F2N3/c1-2-18-13(10-6-16-8-17-7-10)9-3-11(14)5-12(15)4-9/h3-8,13,18H,2H2,1H3
InChIKeyFPLGBQMDXRKEKU-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.45
Rot. Bonds4

About N-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine

N-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine (PubChem CID 62491730) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine
PubChem CID62491730
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC NameN-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1cncnc1)c1cc(F)cc(F)c1
InChIInChI=1S/C13H13F2N3/c1-2-18-13(10-6-16-8-17-7-10)9-3-11(14)5-12(15)4-9/h3-8,13,18H,2H2,1H3
InChIKeyFPLGBQMDXRKEKU-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]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

N-[(3-bromo-4-fluorophenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 82809323
N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine
CID 43489099
N-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 63987713
N-[(3,5-difluorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 66272491
N-[(5-fluoro-3-pyridinyl)-phenylmethyl]ethanamine
CID 54967779
N-[(2,6-dimethyl-4-pyridinyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 107503885
N-[pyrimidin-5-yl-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115827042
N-[(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methyl]ethanamine
CID 106849072
N-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489212
1-(3-bromo-5-fluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 66425432
N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine
CID 105118897
N-[(3,4-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 62491347

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine?
The IUPAC name of N-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine (CID 62491730) is N-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine is CCNC(c1cncnc1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine?
The InChIKey is FPLGBQMDXRKEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-2-18-13(10-6-16-8-17-7-10)9-3-11(14)5-12(15)4-9/h3-8,13,18H,2H2,1H3.
What are the key properties of N-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine?
N-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine has a molecular weight of 249.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine is sourced from PubChem (CID 62491730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).