2-N,6-N-dimethyl-6-N-[(2-methylfuran-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine

C14H16F3N3O — CID 102717767

IUPAC2-N,6-N-dimethyl-6-N-[(2-methylfuran-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(N(C)Cc2ccoc2C)n1
InChIInChI=1S/C14H16F3N3O/c1-9-10(4-5-21-9)8-20(3)13-7-11(14(15,16)17)6-12(18-2)19-13/h4-7H,8H2,1-3H3,(H,18,19)
InChIKeyJQZDYNDTEUBTQZ-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.68
Rot. Bonds4

About 2-N,6-N-dimethyl-6-N-[(2-methylfuran-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine

2-N,6-N-dimethyl-6-N-[(2-methylfuran-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717767) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-N,6-N-dimethyl-6-N-[(2-methylfuran-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-dimethyl-6-N-[(2-methylfuran-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717767
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name2-N,6-N-dimethyl-6-N-[(2-methylfuran-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(N(C)Cc2ccoc2C)n1
InChIInChI=1S/C14H16F3N3O/c1-9-10(4-5-21-9)8-20(3)13-7-11(14(15,16)17)6-12(18-2)19-13/h4-7H,8H2,1-3H3,(H,18,19)
InChIKeyJQZDYNDTEUBTQZ-UHFFFAOYSA-N
XLogP3.68
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-dimethyl-6-N-[(2-methylfuran-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N,6-N-dimethyl-6-N-[(2-methylfuran-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717767) is 2-N,6-N-dimethyl-6-N-[(2-methylfuran-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N,6-N-dimethyl-6-N-[(2-methylfuran-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N,6-N-dimethyl-6-N-[(2-methylfuran-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine is CNc1cc(C(F)(F)F)cc(N(C)Cc2ccoc2C)n1.
What is the InChIKey of 2-N,6-N-dimethyl-6-N-[(2-methylfuran-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is JQZDYNDTEUBTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-9-10(4-5-21-9)8-20(3)13-7-11(14(15,16)17)6-12(18-2)19-13/h4-7H,8H2,1-3H3,(H,18,19).
What are the key properties of 2-N,6-N-dimethyl-6-N-[(2-methylfuran-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
2-N,6-N-dimethyl-6-N-[(2-methylfuran-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 299.30 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-dimethyl-6-N-[(2-methylfuran-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).