4-bromo-2,6-difluoro-N-(pyrimidin-2-ylmethyl)aniline

C11H8BrF2N3 — CID 65469563

IUPAC4-bromo-2,6-difluoro-N-(pyrimidin-2-ylmethyl)aniline
SMILESFc1cc(Br)cc(F)c1NCc1ncccn1
InChIInChI=1S/C11H8BrF2N3/c12-7-4-8(13)11(9(14)5-7)17-6-10-15-2-1-3-16-10/h1-5,17H,6H2
InChIKeyWPFYDSQDDCMQIK-UHFFFAOYSA-N
MW300.11 g/mol
LogP3.13
Rot. Bonds3

About 4-bromo-2,6-difluoro-N-(pyrimidin-2-ylmethyl)aniline

4-bromo-2,6-difluoro-N-(pyrimidin-2-ylmethyl)aniline (PubChem CID 65469563) has the molecular formula C11H8BrF2N3 and a molecular weight of 300.11 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-(pyrimidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-(pyrimidin-2-ylmethyl)aniline
PubChem CID65469563
Molecular FormulaC11H8BrF2N3
Molecular Weight300.11 g/mol
Exact Mass298.99
IUPAC Name4-bromo-2,6-difluoro-N-(pyrimidin-2-ylmethyl)aniline
SMILESFc1cc(Br)cc(F)c1NCc1ncccn1
InChIInChI=1S/C11H8BrF2N3/c12-7-4-8(13)11(9(14)5-7)17-6-10-15-2-1-3-16-10/h1-5,17H,6H2
InChIKeyWPFYDSQDDCMQIK-UHFFFAOYSA-N
XLogP3.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-bromo-2,6-difluoroaniline
CID 65469115
2,6-dichloro-4-fluoro-N-(pyrimidin-2-ylmethyl)aniline
CID 83078218
3,4,5-trifluoro-N-(pyrimidin-2-ylmethyl)aniline
CID 62810285
2-[(4-bromo-2,6-difluoroanilino)methyl]phenol
CID 65468718
4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline
CID 65469109
4-bromo-2,6-difluoro-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 65467186
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
5-[(4-bromo-2,6-difluoroanilino)methyl]-N,N,1-trimethylimidazol-2-amine
CID 65469299
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469956
4-bromo-2,6-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 65468894
4-bromo-N-[(3-chloro-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 114487594
4-[(4-bromo-2,6-difluoroanilino)methyl]benzene-1,3-diol
CID 65468517

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-(pyrimidin-2-ylmethyl)aniline?
The IUPAC name of 4-bromo-2,6-difluoro-N-(pyrimidin-2-ylmethyl)aniline (CID 65469563) is 4-bromo-2,6-difluoro-N-(pyrimidin-2-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-(pyrimidin-2-ylmethyl)aniline?
The canonical SMILES for 4-bromo-2,6-difluoro-N-(pyrimidin-2-ylmethyl)aniline is Fc1cc(Br)cc(F)c1NCc1ncccn1.
What is the InChIKey of 4-bromo-2,6-difluoro-N-(pyrimidin-2-ylmethyl)aniline?
The InChIKey is WPFYDSQDDCMQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2N3/c12-7-4-8(13)11(9(14)5-7)17-6-10-15-2-1-3-16-10/h1-5,17H,6H2.
What are the key properties of 4-bromo-2,6-difluoro-N-(pyrimidin-2-ylmethyl)aniline?
4-bromo-2,6-difluoro-N-(pyrimidin-2-ylmethyl)aniline has a molecular weight of 300.11 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-N-(pyrimidin-2-ylmethyl)aniline is sourced from PubChem (CID 65469563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).