6-N-ethyl-3,5-difluoro-6-N-(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine

C11H17F2N3O — CID 114074249

IUPAC6-N-ethyl-3,5-difluoro-6-N-(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine
SMILESCCN(CCOC)c1nc(NC)c(F)cc1F
InChIInChI=1S/C11H17F2N3O/c1-4-16(5-6-17-3)11-9(13)7-8(12)10(14-2)15-11/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyWGKSHYVYVBNVRR-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.87
Rot. Bonds6

About 6-N-ethyl-3,5-difluoro-6-N-(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine

6-N-ethyl-3,5-difluoro-6-N-(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine (PubChem CID 114074249) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is 6-N-ethyl-3,5-difluoro-6-N-(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-3,5-difluoro-6-N-(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine
PubChem CID114074249
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name6-N-ethyl-3,5-difluoro-6-N-(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine
SMILESCCN(CCOC)c1nc(NC)c(F)cc1F
InChIInChI=1S/C11H17F2N3O/c1-4-16(5-6-17-3)11-9(13)7-8(12)10(14-2)15-11/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyWGKSHYVYVBNVRR-UHFFFAOYSA-N
XLogP1.87
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol
CID 114074203
4-N-ethyl-4-N-(2-methoxyethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80808572
4-N-ethyl-5-fluoro-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80809527
N-ethyl-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 143431201
6-N-ethyl-6-N-(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine
CID 80809532
5-bromo-2-N-ethyl-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 61444777
8-N-ethyl-8-N-(2-methoxyethyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80809254
4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80955285
4-(chloromethyl)-N-ethyl-2-fluoro-N-(2-methoxyethyl)aniline
CID 61446258
3,5,6-trifluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
CID 114072484
4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80795868
4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(2-methoxyethyl)aniline
CID 107081493

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-3,5-difluoro-6-N-(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine?
The IUPAC name of 6-N-ethyl-3,5-difluoro-6-N-(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine (CID 114074249) is 6-N-ethyl-3,5-difluoro-6-N-(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-3,5-difluoro-6-N-(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-3,5-difluoro-6-N-(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine is CCN(CCOC)c1nc(NC)c(F)cc1F.
What is the InChIKey of 6-N-ethyl-3,5-difluoro-6-N-(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine?
The InChIKey is WGKSHYVYVBNVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-4-16(5-6-17-3)11-9(13)7-8(12)10(14-2)15-11/h7H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 6-N-ethyl-3,5-difluoro-6-N-(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine?
6-N-ethyl-3,5-difluoro-6-N-(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine has a molecular weight of 245.27 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-3,5-difluoro-6-N-(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 114074249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).