6-N-[1-(dimethylamino)propan-2-yl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine

C12H19F3N4 — CID 102719072

IUPAC6-N-[1-(dimethylamino)propan-2-yl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(NC(C)CN(C)C)n1
InChIInChI=1S/C12H19F3N4/c1-8(7-19(3)4)17-11-6-9(12(13,14)15)5-10(16-2)18-11/h5-6,8H,7H2,1-4H3,(H2,16,17,18)
InChIKeyZQMLQBDYVVPJAH-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.50
Rot. Bonds5

About 6-N-[1-(dimethylamino)propan-2-yl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-[1-(dimethylamino)propan-2-yl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102719072) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is 6-N-[1-(dimethylamino)propan-2-yl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[1-(dimethylamino)propan-2-yl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102719072
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name6-N-[1-(dimethylamino)propan-2-yl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(NC(C)CN(C)C)n1
InChIInChI=1S/C12H19F3N4/c1-8(7-19(3)4)17-11-6-9(12(13,14)15)5-10(16-2)18-11/h5-6,8H,7H2,1-4H3,(H2,16,17,18)
InChIKeyZQMLQBDYVVPJAH-UHFFFAOYSA-N
XLogP2.50
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[1-(dimethylamino)propan-2-yl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 82949807
6-N-(1-cyclopropylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717537
2-N-methyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718063
2-N-methyl-6-N-(1-phenylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717290
6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717913
6-hydrazinyl-N-(5-methylhexan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102720760
6-N-(2-methoxypropyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719521
N,2-dimethyl-3-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 106918708
1,1-dimethyl-3-[2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]urea
CID 102719106
4-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 102719371
2-methyl-2-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 102719263
6-N-(1-cyclopropylethyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717599

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(dimethylamino)propan-2-yl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-[1-(dimethylamino)propan-2-yl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102719072) is 6-N-[1-(dimethylamino)propan-2-yl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[1-(dimethylamino)propan-2-yl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-[1-(dimethylamino)propan-2-yl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine is CNc1cc(C(F)(F)F)cc(NC(C)CN(C)C)n1.
What is the InChIKey of 6-N-[1-(dimethylamino)propan-2-yl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is ZQMLQBDYVVPJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-8(7-19(3)4)17-11-6-9(12(13,14)15)5-10(16-2)18-11/h5-6,8H,7H2,1-4H3,(H2,16,17,18).
What are the key properties of 6-N-[1-(dimethylamino)propan-2-yl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-[1-(dimethylamino)propan-2-yl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 276.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(dimethylamino)propan-2-yl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102719072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).