2-(2,6-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine

C14H15F2N3 — CID 114552816

IUPAC2-(2,6-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine
SMILESCCNC(Cc1c(F)cccc1F)c1ncccn1
InChIInChI=1S/C14H15F2N3/c1-2-17-13(14-18-7-4-8-19-14)9-10-11(15)5-3-6-12(10)16/h3-8,13,17H,2,9H2,1H3
InChIKeyJVOJILYULXSUGV-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.65
Rot. Bonds5

About 2-(2,6-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine

2-(2,6-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine (PubChem CID 114552816) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine
PubChem CID114552816
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-(2,6-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine
SMILESCCNC(Cc1c(F)cccc1F)c1ncccn1
InChIInChI=1S/C14H15F2N3/c1-2-17-13(14-18-7-4-8-19-14)9-10-11(15)5-3-6-12(10)16/h3-8,13,17H,2,9H2,1H3
InChIKeyJVOJILYULXSUGV-UHFFFAOYSA-N
XLogP2.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-difluorophenyl)-1-pyrimidin-2-ylethanol
CID 114552917
3-[2-(2,6-difluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine
CID 79522491
N-[2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62600821
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104515541
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine
CID 105105535
1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylethanamine
CID 63988196
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63962445
1-(3-chloro-4-iodophenyl)-2-(2,6-difluorophenyl)-N-ethylethanamine
CID 103216510
1-(2,6-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 114932249
2-(2,6-dimethylphenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105174636
1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine
CID 114931797
1-(2,6-difluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine
CID 105005647

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine?
The IUPAC name of 2-(2,6-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine (CID 114552816) is 2-(2,6-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine is CCNC(Cc1c(F)cccc1F)c1ncccn1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine?
The InChIKey is JVOJILYULXSUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-2-17-13(14-18-7-4-8-19-14)9-10-11(15)5-3-6-12(10)16/h3-8,13,17H,2,9H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine?
2-(2,6-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine has a molecular weight of 263.29 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 114552816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).