6-N-(1-cyclopropylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine

C13H18F3N3 — CID 102718593

IUPAC6-N-(1-cyclopropylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCC(CC1CC1)Nc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C13H18F3N3/c1-2-10(5-8-3-4-8)18-12-7-9(13(14,15)16)6-11(17)19-12/h6-8,10H,2-5H2,1H3,(H3,17,18,19)
InChIKeyDEKRZFQBNLLHKR-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.67
Rot. Bonds5

About 6-N-(1-cyclopropylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-(1-cyclopropylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102718593) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is 6-N-(1-cyclopropylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1-cyclopropylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102718593
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name6-N-(1-cyclopropylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCC(CC1CC1)Nc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C13H18F3N3/c1-2-10(5-8-3-4-8)18-12-7-9(13(14,15)16)6-11(17)19-12/h6-8,10H,2-5H2,1H3,(H3,17,18,19)
InChIKeyDEKRZFQBNLLHKR-UHFFFAOYSA-N
XLogP3.67
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719346
4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565160
6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717244
6-N-[(3-methylcyclopentyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 107415860
4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 102718936
N-(1-cyclopropylbutan-2-yl)-6-fluoropyridin-2-amine
CID 63996165
6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718721
6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717913
4-N-(1-cyclopropylbutan-2-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80835871
6-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717481
6-N-(1-ethylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717902
3-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentan-3-ol
CID 102718731

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-cyclopropylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(1-cyclopropylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102718593) is 6-N-(1-cyclopropylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(1-cyclopropylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(1-cyclopropylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is CCC(CC1CC1)Nc1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 6-N-(1-cyclopropylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is DEKRZFQBNLLHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-2-10(5-8-3-4-8)18-12-7-9(13(14,15)16)6-11(17)19-12/h6-8,10H,2-5H2,1H3,(H3,17,18,19).
What are the key properties of 6-N-(1-cyclopropylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(1-cyclopropylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 273.30 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-cyclopropylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102718593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).