6-N-(1-ethoxypropan-2-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine

C12H19F2N3O — CID 114074384

IUPAC6-N-(1-ethoxypropan-2-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine
SMILESCCNc1nc(NC(C)COCC)c(F)cc1F
InChIInChI=1S/C12H19F2N3O/c1-4-15-11-9(13)6-10(14)12(17-11)16-8(3)7-18-5-2/h6,8H,4-5,7H2,1-3H3,(H2,15,16,17)
InChIKeyYILKGPAFFXFXJW-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.63
Rot. Bonds7

About 6-N-(1-ethoxypropan-2-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine

6-N-(1-ethoxypropan-2-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine (PubChem CID 114074384) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is 6-N-(1-ethoxypropan-2-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1-ethoxypropan-2-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine
PubChem CID114074384
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name6-N-(1-ethoxypropan-2-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine
SMILESCCNc1nc(NC(C)COCC)c(F)cc1F
InChIInChI=1S/C12H19F2N3O/c1-4-15-11-9(13)6-10(14)12(17-11)16-8(3)7-18-5-2/h6,8H,4-5,7H2,1-3H3,(H2,15,16,17)
InChIKeyYILKGPAFFXFXJW-UHFFFAOYSA-N
XLogP2.63
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-(1-ethoxypropan-2-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine?
The IUPAC name of 6-N-(1-ethoxypropan-2-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine (CID 114074384) is 6-N-(1-ethoxypropan-2-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine.
What is the SMILES notation for 6-N-(1-ethoxypropan-2-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine?
The canonical SMILES for 6-N-(1-ethoxypropan-2-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine is CCNc1nc(NC(C)COCC)c(F)cc1F.
What is the InChIKey of 6-N-(1-ethoxypropan-2-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine?
The InChIKey is YILKGPAFFXFXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c1-4-15-11-9(13)6-10(14)12(17-11)16-8(3)7-18-5-2/h6,8H,4-5,7H2,1-3H3,(H2,15,16,17).
What are the key properties of 6-N-(1-ethoxypropan-2-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine?
6-N-(1-ethoxypropan-2-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine has a molecular weight of 259.30 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-ethoxypropan-2-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine is sourced from PubChem (CID 114074384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).