2-N-benzyl-6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine

C16H19F2N3 — CID 22121273

IUPAC2-N-benzyl-6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine
SMILESCC(C)(C)Nc1nc(NCc2ccccc2)c(F)cc1F
InChIInChI=1S/C16H19F2N3/c1-16(2,3)21-15-13(18)9-12(17)14(20-15)19-10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H2,19,20,21)
InChIKeyKTIMGPLWJABCPT-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.18
Rot. Bonds4

About 2-N-benzyl-6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine

2-N-benzyl-6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine (PubChem CID 22121273) has the molecular formula C16H19F2N3 and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-N-benzyl-6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine
PubChem CID22121273
Molecular FormulaC16H19F2N3
Molecular Weight291.34 g/mol
Exact Mass291.15
IUPAC Name2-N-benzyl-6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine
SMILESCC(C)(C)Nc1nc(NCc2ccccc2)c(F)cc1F
InChIInChI=1S/C16H19F2N3/c1-16(2,3)21-15-13(18)9-12(17)14(20-15)19-10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H2,19,20,21)
InChIKeyKTIMGPLWJABCPT-UHFFFAOYSA-N
XLogP4.18
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine?
The IUPAC name of 2-N-benzyl-6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine (CID 22121273) is 2-N-benzyl-6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine.
What is the SMILES notation for 2-N-benzyl-6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine?
The canonical SMILES for 2-N-benzyl-6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine is CC(C)(C)Nc1nc(NCc2ccccc2)c(F)cc1F.
What is the InChIKey of 2-N-benzyl-6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine?
The InChIKey is KTIMGPLWJABCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c1-16(2,3)21-15-13(18)9-12(17)14(20-15)19-10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H2,19,20,21).
What are the key properties of 2-N-benzyl-6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine?
2-N-benzyl-6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine has a molecular weight of 291.34 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine is sourced from PubChem (CID 22121273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).