6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine

C12H18F3N3O — CID 102718721

IUPAC6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCOCC(Nc1cc(C(F)(F)F)cc(N)n1)C(C)C
InChIInChI=1S/C12H18F3N3O/c1-7(2)9(6-19-3)17-11-5-8(12(13,14)15)4-10(16)18-11/h4-5,7,9H,6H2,1-3H3,(H3,16,17,18)
InChIKeyDJHYURGXKGAFOD-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.77
Rot. Bonds5

About 6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102718721) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102718721
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCOCC(Nc1cc(C(F)(F)F)cc(N)n1)C(C)C
InChIInChI=1S/C12H18F3N3O/c1-7(2)9(6-19-3)17-11-5-8(12(13,14)15)4-10(16)18-11/h4-5,7,9H,6H2,1-3H3,(H3,16,17,18)
InChIKeyDJHYURGXKGAFOD-UHFFFAOYSA-N
XLogP2.77
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717913
6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717244
4-N-(1-methoxy-3-methylbutan-2-yl)-6-methylpyrimidine-2,4-diamine
CID 79033479
4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 102718936
6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717909
6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine
CID 80840157
4-N-(1-ethoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine
CID 114114612
6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719346
2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]-N-propan-2-ylpropanamide
CID 102719169
3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol
CID 106358437
6-N-(1-cyclopropylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718593
6-N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717521

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102718721) is 6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is COCC(Nc1cc(C(F)(F)F)cc(N)n1)C(C)C.
What is the InChIKey of 6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is DJHYURGXKGAFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-7(2)9(6-19-3)17-11-5-8(12(13,14)15)4-10(16)18-11/h4-5,7,9H,6H2,1-3H3,(H3,16,17,18).
What are the key properties of 6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 277.29 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102718721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).