2,3-difluoro-N-(pyrimidin-5-ylmethyl)aniline

C11H9F2N3 — CID 62759371

IUPAC2,3-difluoro-N-(pyrimidin-5-ylmethyl)aniline
SMILESFc1cccc(NCc2cncnc2)c1F
InChIInChI=1S/C11H9F2N3/c12-9-2-1-3-10(11(9)13)16-6-8-4-14-7-15-5-8/h1-5,7,16H,6H2
InChIKeyNYTVXMXCOMTCLW-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.37
Rot. Bonds3

About 2,3-difluoro-N-(pyrimidin-5-ylmethyl)aniline

2,3-difluoro-N-(pyrimidin-5-ylmethyl)aniline (PubChem CID 62759371) has the molecular formula C11H9F2N3 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2,3-difluoro-N-(pyrimidin-5-ylmethyl)aniline.

Molecular Properties

Compound Name2,3-difluoro-N-(pyrimidin-5-ylmethyl)aniline
PubChem CID62759371
Molecular FormulaC11H9F2N3
Molecular Weight221.21 g/mol
Exact Mass221.08
IUPAC Name2,3-difluoro-N-(pyrimidin-5-ylmethyl)aniline
SMILESFc1cccc(NCc2cncnc2)c1F
InChIInChI=1S/C11H9F2N3/c12-9-2-1-3-10(11(9)13)16-6-8-4-14-7-15-5-8/h1-5,7,16H,6H2
InChIKeyNYTVXMXCOMTCLW-UHFFFAOYSA-N
XLogP2.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2,3-difluoroaniline
CID 21321341
N-[(3,5-dichlorophenyl)methyl]-2,3-difluoroaniline
CID 63452474
N-[(3,5-dimethylphenyl)methyl]-2,3-difluoroaniline
CID 54978785
3-chloro-2-methyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62760794
2-fluoro-5-methyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62760447
[2-(pyrimidin-5-ylmethylamino)phenyl]methanol
CID 62759551
2,3-difluoro-N-(thiophen-3-ylmethyl)aniline
CID 61074644
2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368
2-methyl-6-(pyrimidin-5-ylmethylamino)benzonitrile
CID 114002990
2-(pyrimidin-5-ylmethylamino)benzoic acid
CID 62758765
N-[2-(pyrimidin-5-ylmethylamino)phenyl]methanesulfonamide
CID 62759740
2,4-dichloro-N-(pyrimidin-5-ylmethyl)aniline
CID 62760795

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(pyrimidin-5-ylmethyl)aniline?
The IUPAC name of 2,3-difluoro-N-(pyrimidin-5-ylmethyl)aniline (CID 62759371) is 2,3-difluoro-N-(pyrimidin-5-ylmethyl)aniline.
What is the SMILES notation for 2,3-difluoro-N-(pyrimidin-5-ylmethyl)aniline?
The canonical SMILES for 2,3-difluoro-N-(pyrimidin-5-ylmethyl)aniline is Fc1cccc(NCc2cncnc2)c1F.
What is the InChIKey of 2,3-difluoro-N-(pyrimidin-5-ylmethyl)aniline?
The InChIKey is NYTVXMXCOMTCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3/c12-9-2-1-3-10(11(9)13)16-6-8-4-14-7-15-5-8/h1-5,7,16H,6H2.
What are the key properties of 2,3-difluoro-N-(pyrimidin-5-ylmethyl)aniline?
2,3-difluoro-N-(pyrimidin-5-ylmethyl)aniline has a molecular weight of 221.21 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(pyrimidin-5-ylmethyl)aniline is sourced from PubChem (CID 62759371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).