2-(3,5-difluorophenyl)-N-methyl-1-pyrimidin-5-ylethanamine

C13H13F2N3 — CID 55078368

IUPAC2-(3,5-difluorophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1cncnc1
InChIInChI=1S/C13H13F2N3/c1-16-13(10-6-17-8-18-7-10)4-9-2-11(14)5-12(15)3-9/h2-3,5-8,13,16H,4H2,1H3
InChIKeySFDGSIYWLXMNJG-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.26
Rot. Bonds4

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

2-(3,5-difluorophenyl)-N-methyl-1-pyrimidin-5-ylethanamine (PubChem CID 55078368) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-methyl-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
PubChem CID55078368
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name2-(3,5-difluorophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1cncnc1
InChIInChI=1S/C13H13F2N3/c1-16-13(10-6-17-8-18-7-10)4-9-2-11(14)5-12(15)3-9/h2-3,5-8,13,16H,4H2,1H3
InChIKeySFDGSIYWLXMNJG-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105169477
1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 62802846
2-(3,5-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine
CID 105406726
2-(3,5-difluorophenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 105406856
1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412702
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105406135
2-(3,5-difluorophenyl)-1-(3-ethyl-4-pyridinyl)-N-methylethanamine
CID 105406867
2-(3-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 113297174
2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 54967680
2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 61496504
2-(4-fluorophenyl)sulfanyl-N-methyl-1-pyrimidin-5-ylethanamine
CID 66071816
2-(3,5-difluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881394

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-methyl-1-pyrimidin-5-ylethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-N-methyl-1-pyrimidin-5-ylethanamine (CID 55078368) is 2-(3,5-difluorophenyl)-N-methyl-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-methyl-1-pyrimidin-5-ylethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-methyl-1-pyrimidin-5-ylethanamine is CNC(Cc1cc(F)cc(F)c1)c1cncnc1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-methyl-1-pyrimidin-5-ylethanamine?
The InChIKey is SFDGSIYWLXMNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-16-13(10-6-17-8-18-7-10)4-9-2-11(14)5-12(15)3-9/h2-3,5-8,13,16H,4H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-N-methyl-1-pyrimidin-5-ylethanamine?
2-(3,5-difluorophenyl)-N-methyl-1-pyrimidin-5-ylethanamine has a molecular weight of 249.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-methyl-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 55078368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).