2-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine

C14H15F2N3 — CID 63988553

IUPAC2-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
SMILESCCNC(Cc1cc(F)ccc1F)c1ccncn1
InChIInChI=1S/C14H15F2N3/c1-2-18-14(13-5-6-17-9-19-13)8-10-7-11(15)3-4-12(10)16/h3-7,9,14,18H,2,8H2,1H3
InChIKeySQCLHGGGIJTUQB-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.65
Rot. Bonds5

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

2-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine (PubChem CID 63988553) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
PubChem CID63988553
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
SMILESCCNC(Cc1cc(F)ccc1F)c1ccncn1
InChIInChI=1S/C14H15F2N3/c1-2-18-14(13-5-6-17-9-19-13)8-10-7-11(15)3-4-12(10)16/h3-7,9,14,18H,2,8H2,1H3
InChIKeySQCLHGGGIJTUQB-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-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 114855706
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine
CID 104793956
2-(2,5-difluorophenyl)-1-pyrimidin-4-ylethanamine
CID 63988739
1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 105105135
2-(2,5-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine
CID 63554372
N-[2-(4-chloro-2-fluorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 114855708
2-(2,5-difluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine
CID 115810208
N-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine
CID 63990208
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 62601747
N-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 63987713
N-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 63988973
2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 63988550

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine (CID 63988553) is 2-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine is CCNC(Cc1cc(F)ccc1F)c1ccncn1.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine?
The InChIKey is SQCLHGGGIJTUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-2-18-14(13-5-6-17-9-19-13)8-10-7-11(15)3-4-12(10)16/h3-7,9,14,18H,2,8H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine?
2-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-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-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine is sourced from PubChem (CID 63988553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).