3,5-difluoro-6-N-(oxan-4-ylmethyl)pyridine-2,6-diamine

C11H15F2N3O — CID 114074477

IUPAC3,5-difluoro-6-N-(oxan-4-ylmethyl)pyridine-2,6-diamine
SMILESNc1nc(NCC2CCOCC2)c(F)cc1F
InChIInChI=1S/C11H15F2N3O/c12-8-5-9(13)11(16-10(8)14)15-6-7-1-3-17-4-2-7/h5,7H,1-4,6H2,(H3,14,15,16)
InChIKeyNGPURECYPFTMEP-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.78
Rot. Bonds3

About 3,5-difluoro-6-N-(oxan-4-ylmethyl)pyridine-2,6-diamine

3,5-difluoro-6-N-(oxan-4-ylmethyl)pyridine-2,6-diamine (PubChem CID 114074477) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is 3,5-difluoro-6-N-(oxan-4-ylmethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-difluoro-6-N-(oxan-4-ylmethyl)pyridine-2,6-diamine
PubChem CID114074477
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name3,5-difluoro-6-N-(oxan-4-ylmethyl)pyridine-2,6-diamine
SMILESNc1nc(NCC2CCOCC2)c(F)cc1F
InChIInChI=1S/C11H15F2N3O/c12-8-5-9(13)11(16-10(8)14)15-6-7-1-3-17-4-2-7/h5,7H,1-4,6H2,(H3,14,15,16)
InChIKeyNGPURECYPFTMEP-UHFFFAOYSA-N
XLogP1.78
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-difluoro-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
CID 114131324
1-methyl-3-N-(oxan-4-ylmethyl)pyrazole-3,4-diamine
CID 103078529
2,6-difluoro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 62823821
3,4-difluoro-2-N-(oxan-4-ylmethyl)benzene-1,2-diamine
CID 55225841
3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine
CID 63726632
3,5-difluoro-6-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 114073108
5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline
CID 62385301
2-bromo-4,6-difluoro-N-(oxan-4-ylmethyl)aniline
CID 62384569
6-bromo-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
CID 116795913
2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine
CID 63726292
6-(2-amino-4-pyridinyl)-5-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 141285797
2-N-(oxan-4-ylmethyl)pyrazine-2,6-diamine
CID 78989247

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-6-N-(oxan-4-ylmethyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-difluoro-6-N-(oxan-4-ylmethyl)pyridine-2,6-diamine (CID 114074477) is 3,5-difluoro-6-N-(oxan-4-ylmethyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-difluoro-6-N-(oxan-4-ylmethyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-difluoro-6-N-(oxan-4-ylmethyl)pyridine-2,6-diamine is Nc1nc(NCC2CCOCC2)c(F)cc1F.
What is the InChIKey of 3,5-difluoro-6-N-(oxan-4-ylmethyl)pyridine-2,6-diamine?
The InChIKey is NGPURECYPFTMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c12-8-5-9(13)11(16-10(8)14)15-6-7-1-3-17-4-2-7/h5,7H,1-4,6H2,(H3,14,15,16).
What are the key properties of 3,5-difluoro-6-N-(oxan-4-ylmethyl)pyridine-2,6-diamine?
3,5-difluoro-6-N-(oxan-4-ylmethyl)pyridine-2,6-diamine has a molecular weight of 243.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-6-N-(oxan-4-ylmethyl)pyridine-2,6-diamine is sourced from PubChem (CID 114074477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).