2-(2,6-difluorophenyl)-1-pyrimidin-5-ylethanamine

C12H11F2N3 — CID 115826917

IUPAC2-(2,6-difluorophenyl)-1-pyrimidin-5-ylethanamine
SMILESNC(Cc1c(F)cccc1F)c1cncnc1
InChIInChI=1S/C12H11F2N3/c13-10-2-1-3-11(14)9(10)4-12(15)8-5-16-7-17-6-8/h1-3,5-7,12H,4,15H2
InChIKeyQXKQEYZNVKASPQ-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.00
Rot. Bonds3

About 2-(2,6-difluorophenyl)-1-pyrimidin-5-ylethanamine

2-(2,6-difluorophenyl)-1-pyrimidin-5-ylethanamine (PubChem CID 115826917) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-pyrimidin-5-ylethanamine
PubChem CID115826917
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name2-(2,6-difluorophenyl)-1-pyrimidin-5-ylethanamine
SMILESNC(Cc1c(F)cccc1F)c1cncnc1
InChIInChI=1S/C12H11F2N3/c13-10-2-1-3-11(14)9(10)4-12(15)8-5-16-7-17-6-8/h1-3,5-7,12H,4,15H2
InChIKeyQXKQEYZNVKASPQ-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

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Related Compounds

2-(2,6-dichlorophenyl)-1-pyrimidin-5-ylethanamine
CID 55078463
2-(3-bromo-4-fluorophenyl)-1-pyrimidin-5-ylethanamine
CID 102923307
2-(2,6-difluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102710047
2-(2,6-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105174686
2-(2,6-difluorophenyl)-1-pyridin-2-ylethanamine
CID 114931758
2-(2-bromo-5-fluorophenyl)-1-pyrimidin-5-ylethanamine
CID 102923366
2-(2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 114031186
2-naphthalen-2-yl-1-pyrimidin-5-ylethanamine
CID 105118863
2-(4-tert-butylphenyl)-1-pyrimidin-5-ylethanamine
CID 102923357
1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine
CID 106647905
2-(2-bromo-3-fluorophenyl)-1-pyrimidin-5-ylethanol
CID 102924092
3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]pyridine
CID 63016457

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-pyrimidin-5-ylethanamine?
The IUPAC name of 2-(2,6-difluorophenyl)-1-pyrimidin-5-ylethanamine (CID 115826917) is 2-(2,6-difluorophenyl)-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-pyrimidin-5-ylethanamine?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-pyrimidin-5-ylethanamine is NC(Cc1c(F)cccc1F)c1cncnc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-pyrimidin-5-ylethanamine?
The InChIKey is QXKQEYZNVKASPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c13-10-2-1-3-11(14)9(10)4-12(15)8-5-16-7-17-6-8/h1-3,5-7,12H,4,15H2.
What are the key properties of 2-(2,6-difluorophenyl)-1-pyrimidin-5-ylethanamine?
2-(2,6-difluorophenyl)-1-pyrimidin-5-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-(2,6-difluorophenyl)-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 115826917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).