2,6-dichloro-4-fluoro-N-(pyrimidin-2-ylmethyl)aniline

C11H8Cl2FN3 — CID 83078218

IUPAC2,6-dichloro-4-fluoro-N-(pyrimidin-2-ylmethyl)aniline
SMILESFc1cc(Cl)c(NCc2ncccn2)c(Cl)c1
InChIInChI=1S/C11H8Cl2FN3/c12-8-4-7(14)5-9(13)11(8)17-6-10-15-2-1-3-16-10/h1-5,17H,6H2
InChIKeyVSJPNSNLIXSHCI-UHFFFAOYSA-N
MW272.11 g/mol
LogP3.53
Rot. Bonds3

About 2,6-dichloro-4-fluoro-N-(pyrimidin-2-ylmethyl)aniline

2,6-dichloro-4-fluoro-N-(pyrimidin-2-ylmethyl)aniline (PubChem CID 83078218) has the molecular formula C11H8Cl2FN3 and a molecular weight of 272.11 g/mol. Its IUPAC name is 2,6-dichloro-4-fluoro-N-(pyrimidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-fluoro-N-(pyrimidin-2-ylmethyl)aniline
PubChem CID83078218
Molecular FormulaC11H8Cl2FN3
Molecular Weight272.11 g/mol
Exact Mass271.01
IUPAC Name2,6-dichloro-4-fluoro-N-(pyrimidin-2-ylmethyl)aniline
SMILESFc1cc(Cl)c(NCc2ncccn2)c(Cl)c1
InChIInChI=1S/C11H8Cl2FN3/c12-8-4-7(14)5-9(13)11(8)17-6-10-15-2-1-3-16-10/h1-5,17H,6H2
InChIKeyVSJPNSNLIXSHCI-UHFFFAOYSA-N
XLogP3.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.11
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline
CID 83078319
2,6-dichloro-4-fluoro-N-(1H-imidazol-2-ylmethyl)aniline
CID 83076307
4-bromo-2,6-difluoro-N-(pyrimidin-2-ylmethyl)aniline
CID 65469563
2,6-dichloro-4-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 113369511
2-chloro-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline
CID 83072892
2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-fluoroaniline
CID 83078879
2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline
CID 83077123
N-[(2-bromophenyl)methyl]-2,6-dichloro-4-fluoroaniline
CID 83076808
2,6-dichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroaniline
CID 103172686
2-chloro-4,6-difluoro-N-(1H-imidazol-2-ylmethyl)aniline
CID 83081720
2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol
CID 112607220
3,4,5-trifluoro-N-(pyrimidin-2-ylmethyl)aniline
CID 62810285

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-fluoro-N-(pyrimidin-2-ylmethyl)aniline?
The IUPAC name of 2,6-dichloro-4-fluoro-N-(pyrimidin-2-ylmethyl)aniline (CID 83078218) is 2,6-dichloro-4-fluoro-N-(pyrimidin-2-ylmethyl)aniline.
What is the SMILES notation for 2,6-dichloro-4-fluoro-N-(pyrimidin-2-ylmethyl)aniline?
The canonical SMILES for 2,6-dichloro-4-fluoro-N-(pyrimidin-2-ylmethyl)aniline is Fc1cc(Cl)c(NCc2ncccn2)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-fluoro-N-(pyrimidin-2-ylmethyl)aniline?
The InChIKey is VSJPNSNLIXSHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FN3/c12-8-4-7(14)5-9(13)11(8)17-6-10-15-2-1-3-16-10/h1-5,17H,6H2.
What are the key properties of 2,6-dichloro-4-fluoro-N-(pyrimidin-2-ylmethyl)aniline?
2,6-dichloro-4-fluoro-N-(pyrimidin-2-ylmethyl)aniline has a molecular weight of 272.11 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-fluoro-N-(pyrimidin-2-ylmethyl)aniline is sourced from PubChem (CID 83078218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).