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

C12H11F2N3 — CID 63988739

IUPAC2-(2,5-difluorophenyl)-1-pyrimidin-4-ylethanamine
SMILESNC(Cc1cc(F)ccc1F)c1ccncn1
InChIInChI=1S/C12H11F2N3/c13-9-1-2-10(14)8(5-9)6-11(15)12-3-4-16-7-17-12/h1-5,7,11H,6,15H2
InChIKeyDIOVRIGSBGOMCA-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.00
Rot. Bonds3

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

2-(2,5-difluorophenyl)-1-pyrimidin-4-ylethanamine (PubChem CID 63988739) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-pyrimidin-4-ylethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-pyrimidin-4-ylethanamine
PubChem CID63988739
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name2-(2,5-difluorophenyl)-1-pyrimidin-4-ylethanamine
SMILESNC(Cc1cc(F)ccc1F)c1ccncn1
InChIInChI=1S/C12H11F2N3/c13-9-1-2-10(14)8(5-9)6-11(15)12-3-4-16-7-17-12/h1-5,7,11H,6,15H2
InChIKeyDIOVRIGSBGOMCA-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-bromo-4-fluorophenyl)-1-pyrimidin-4-ylethanamine
CID 63989148
2-(3,5-difluorophenyl)-1-pyrimidin-4-ylethanamine
CID 105406178
2-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 63988553
2-(2,5-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65362662
2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine
CID 63988949
2-(2,5-difluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200827
2-(2,5-difluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105105222
1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 114885798
[2-(2,5-difluorophenyl)-1-pyridin-4-ylethyl]hydrazine
CID 105196408
2-(3-bromophenyl)-1-pyrimidin-4-ylethanamine
CID 63987893
3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 62505348
(2S)-3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 94460708

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-pyrimidin-4-ylethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-1-pyrimidin-4-ylethanamine (CID 63988739) is 2-(2,5-difluorophenyl)-1-pyrimidin-4-ylethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-pyrimidin-4-ylethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-pyrimidin-4-ylethanamine is NC(Cc1cc(F)ccc1F)c1ccncn1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-pyrimidin-4-ylethanamine?
The InChIKey is DIOVRIGSBGOMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c13-9-1-2-10(14)8(5-9)6-11(15)12-3-4-16-7-17-12/h1-5,7,11H,6,15H2.
What are the key properties of 2-(2,5-difluorophenyl)-1-pyrimidin-4-ylethanamine?
2-(2,5-difluorophenyl)-1-pyrimidin-4-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-(2,5-difluorophenyl)-1-pyrimidin-4-ylethanamine is sourced from PubChem (CID 63988739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).