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

C9H13F2N3 — CID 15896287

IUPAC6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine
SMILESCC(C)(C)Nc1nc(N)c(F)cc1F
InChIInChI=1S/C9H13F2N3/c1-9(2,3)14-8-6(11)4-5(10)7(12)13-8/h4H,1-3H3,(H3,12,13,14)
InChIKeyZSICFDWRHQPJJR-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.15
Rot. Bonds1

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

6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine (PubChem CID 15896287) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is 6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine
PubChem CID15896287
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine
SMILESCC(C)(C)Nc1nc(N)c(F)cc1F
InChIInChI=1S/C9H13F2N3/c1-9(2,3)14-8-6(11)4-5(10)7(12)13-8/h4H,1-3H3,(H3,12,13,14)
InChIKeyZSICFDWRHQPJJR-UHFFFAOYSA-N
XLogP2.15
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Fluoropyridin-2-amine
CID 2761399
2,6-Diamino-3,5-difluoropyridine
CID 10176199
2-N,6-N-dimethylpyridine-2,6-diamine
CID 11194367
6-fluoro-N-methylpyridin-2-amine
CID 10558630
3,6-Difluoropyridin-2-amine
CID 53417184
3,6-Difluoro-5-iodopyridin-2-amine
CID 165897817
3,5,6-Trifluoropyridin-2-amine
CID 12508074
5-Fluoro-6-methylpyridin-2-amine
CID 13789841
N1-(6-fluoropyridin-2-yl)ethane-1,2-diamine
CID 10844618
6-bromo-N-(tert-butyl)pyridin-2-ylamine
CID 22180784
3,5-difluoro-N-propan-2-ylpyridin-2-amine;ethane
CID 178103595
3,4,6-Trifluoropyridin-2-amine
CID 13999613

Frequently Asked Questions

What is the IUPAC name of 6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine?
The IUPAC name of 6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine (CID 15896287) is 6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine.
What is the SMILES notation for 6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine?
The canonical SMILES for 6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine is CC(C)(C)Nc1nc(N)c(F)cc1F.
What is the InChIKey of 6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine?
The InChIKey is ZSICFDWRHQPJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c1-9(2,3)14-8-6(11)4-5(10)7(12)13-8/h4H,1-3H3,(H3,12,13,14).
What are the key properties of 6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine?
6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine has a molecular weight of 201.22 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine is sourced from PubChem (CID 15896287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).