6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine

C13H14F3N3O — CID 102717909

IUPAC6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCc1ccc(C(C)Nc2cc(C(F)(F)F)cc(N)n2)o1
InChIInChI=1S/C13H14F3N3O/c1-7-3-4-10(20-7)8(2)18-12-6-9(13(14,15)16)5-11(17)19-12/h3-6,8H,1-2H3,(H3,17,18,19)
InChIKeyBVWGLNZBKPHUQV-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.76
Rot. Bonds3

About 6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717909) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717909
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCc1ccc(C(C)Nc2cc(C(F)(F)F)cc(N)n2)o1
InChIInChI=1S/C13H14F3N3O/c1-7-3-4-10(20-7)8(2)18-12-6-9(13(14,15)16)5-11(17)19-12/h3-6,8H,1-2H3,(H3,17,18,19)
InChIKeyBVWGLNZBKPHUQV-UHFFFAOYSA-N
XLogP3.76
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717244
6-N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717521
6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 112724390
2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]-N-propan-2-ylpropanamide
CID 102719169
6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718721
4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 102718936
6-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3,6-triamine
CID 79828244
6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717913
2-N-ethyl-6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80801180
6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719346
6-N-(2-propan-2-ylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717016
N-[1-(5-methylfuran-2-yl)ethyl]quinolin-2-amine
CID 60651617

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717909) is 6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine is Cc1ccc(C(C)Nc2cc(C(F)(F)F)cc(N)n2)o1.
What is the InChIKey of 6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is BVWGLNZBKPHUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-7-3-4-10(20-7)8(2)18-12-6-9(13(14,15)16)5-11(17)19-12/h3-6,8H,1-2H3,(H3,17,18,19).
What are the key properties of 6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 285.27 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).