6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine

C12H19F2N3O — CID 114074357

IUPAC6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine
SMILESCCC(C)N(CCOC)c1nc(N)c(F)cc1F
InChIInChI=1S/C12H19F2N3O/c1-4-8(2)17(5-6-18-3)12-10(14)7-9(13)11(15)16-12/h7-8H,4-6H2,1-3H3,(H2,15,16)
InChIKeyIAWIXJCEZLUNEE-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.19
Rot. Bonds6

About 6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine

6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine (PubChem CID 114074357) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is 6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine
PubChem CID114074357
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine
SMILESCCC(C)N(CCOC)c1nc(N)c(F)cc1F
InChIInChI=1S/C12H19F2N3O/c1-4-8(2)17(5-6-18-3)12-10(14)7-9(13)11(15)16-12/h7-8H,4-6H2,1-3H3,(H2,15,16)
InChIKeyIAWIXJCEZLUNEE-UHFFFAOYSA-N
XLogP2.19
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5,6-trifluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
CID 114072484
1-N-butan-2-yl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 55001534
2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 113286494
N-butan-2-yl-3,5,6-trichloro-N-(2-methoxyethyl)pyridin-2-amine
CID 102750784
4-N-butan-2-yl-4-N-(2-methoxyethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80820334
4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80810126
3-[(6-amino-3,5-difluoro-2-pyridinyl)-propan-2-ylamino]propanenitrile
CID 114074352
4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326475
4-N-butan-2-yl-2-chloro-4-N-(2-methoxyethyl)-6-methylpyrimidine-4,5-diamine
CID 114043716
N-butan-2-yl-4-(chloromethyl)-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105383553
3-[butan-2-yl(2-methoxyethyl)amino]pyrazine-2-carbothioamide
CID 62685655
4-[butan-2-yl(2-methoxyethyl)amino]-3,5-difluorobenzoic acid
CID 63077205

Frequently Asked Questions

What is the IUPAC name of 6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine (CID 114074357) is 6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine is CCC(C)N(CCOC)c1nc(N)c(F)cc1F.
What is the InChIKey of 6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine?
The InChIKey is IAWIXJCEZLUNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c1-4-8(2)17(5-6-18-3)12-10(14)7-9(13)11(15)16-12/h7-8H,4-6H2,1-3H3,(H2,15,16).
What are the key properties of 6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine?
6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine has a molecular weight of 259.30 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine is sourced from PubChem (CID 114074357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).