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

C11H9F2N3 — CID 62759682

IUPAC2,4-difluoro-N-(pyrimidin-4-ylmethyl)aniline
SMILESFc1ccc(NCc2ccncn2)c(F)c1
InChIInChI=1S/C11H9F2N3/c12-8-1-2-11(10(13)5-8)15-6-9-3-4-14-7-16-9/h1-5,7,15H,6H2
InChIKeyRXXMEOYRWHWHQT-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.37
Rot. Bonds3

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

2,4-difluoro-N-(pyrimidin-4-ylmethyl)aniline (PubChem CID 62759682) has the molecular formula C11H9F2N3 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2,4-difluoro-N-(pyrimidin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2,4-difluoro-N-(pyrimidin-4-ylmethyl)aniline
PubChem CID62759682
Molecular FormulaC11H9F2N3
Molecular Weight221.21 g/mol
Exact Mass221.08
IUPAC Name2,4-difluoro-N-(pyrimidin-4-ylmethyl)aniline
SMILESFc1ccc(NCc2ccncn2)c(F)c1
InChIInChI=1S/C11H9F2N3/c12-8-1-2-11(10(13)5-8)15-6-9-3-4-14-7-16-9/h1-5,7,15H,6H2
InChIKeyRXXMEOYRWHWHQT-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

4-bromo-2,5-difluoro-N-(pyrimidin-4-ylmethyl)aniline
CID 107609420
tert-butyl N-[4-fluoro-2-(pyrimidin-4-ylmethylamino)phenyl]carbamate
CID 107240729
methyl 2,4-difluoro-5-(pyrimidin-4-ylmethylamino)benzoate
CID 62747471
4-bromo-N-(pyrimidin-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 55109677
2,4-di(propan-2-yl)-N-(pyrimidin-4-ylmethyl)aniline
CID 62759112
tert-butyl N-[4-fluoro-3-(pyrimidin-4-ylmethylamino)phenyl]carbamate
CID 107240915
4-methylsulfanyl-N-(pyrimidin-4-ylmethyl)aniline
CID 62760028
2,4-difluoro-N-(quinoxalin-6-ylmethyl)aniline
CID 53299083
3-chloro-4-(pyrimidin-4-ylmethylamino)benzonitrile
CID 107807226
2-bromo-5-methyl-N-(pyrimidin-4-ylmethyl)aniline
CID 82762182
5-bromo-2-methyl-N-(pyrimidin-4-ylmethyl)aniline
CID 62749598
tert-butyl N-[2-fluoro-5-(pyrimidin-4-ylmethylamino)phenyl]carbamate
CID 107240536

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(pyrimidin-4-ylmethyl)aniline?
The IUPAC name of 2,4-difluoro-N-(pyrimidin-4-ylmethyl)aniline (CID 62759682) is 2,4-difluoro-N-(pyrimidin-4-ylmethyl)aniline.
What is the SMILES notation for 2,4-difluoro-N-(pyrimidin-4-ylmethyl)aniline?
The canonical SMILES for 2,4-difluoro-N-(pyrimidin-4-ylmethyl)aniline is Fc1ccc(NCc2ccncn2)c(F)c1.
What is the InChIKey of 2,4-difluoro-N-(pyrimidin-4-ylmethyl)aniline?
The InChIKey is RXXMEOYRWHWHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3/c12-8-1-2-11(10(13)5-8)15-6-9-3-4-14-7-16-9/h1-5,7,15H,6H2.
What are the key properties of 2,4-difluoro-N-(pyrimidin-4-ylmethyl)aniline?
2,4-difluoro-N-(pyrimidin-4-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 2,4-difluoro-N-(pyrimidin-4-ylmethyl)aniline is sourced from PubChem (CID 62759682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).