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

C13H14F3N3O — CID 102717523

IUPAC6-N-methyl-6-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCc1ccc(CN(C)c2cc(C(F)(F)F)cc(N)n2)o1
InChIInChI=1S/C13H14F3N3O/c1-8-3-4-10(20-8)7-19(2)12-6-9(13(14,15)16)5-11(17)18-12/h3-6H,7H2,1-2H3,(H2,17,18)
InChIKeyDLNHDCXUJAEVJW-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.22
Rot. Bonds3

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

6-N-methyl-6-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717523) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 6-N-methyl-6-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-6-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717523
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name6-N-methyl-6-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCc1ccc(CN(C)c2cc(C(F)(F)F)cc(N)n2)o1
InChIInChI=1S/C13H14F3N3O/c1-8-3-4-10(20-8)7-19(2)12-6-9(13(14,15)16)5-11(17)18-12/h3-6H,7H2,1-2H3,(H2,17,18)
InChIKeyDLNHDCXUJAEVJW-UHFFFAOYSA-N
XLogP3.22
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-methyl-6-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717523) is 6-N-methyl-6-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-6-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-methyl-6-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine is Cc1ccc(CN(C)c2cc(C(F)(F)F)cc(N)n2)o1.
What is the InChIKey of 6-N-methyl-6-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is DLNHDCXUJAEVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-8-3-4-10(20-8)7-19(2)12-6-9(13(14,15)16)5-11(17)18-12/h3-6H,7H2,1-2H3,(H2,17,18).
What are the key properties of 6-N-methyl-6-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-methyl-6-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 285.27 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).