4-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine

C12H19F3N4 — CID 106747673

IUPAC4-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCC(C)N(C)CCNc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C12H19F3N4/c1-8(2)19(3)5-4-17-10-6-11(12(13,14)15)18-7-9(10)16/h6-8H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyQQFDPKOEGSBVBU-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.43
Rot. Bonds5

About 4-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine

4-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106747673) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is 4-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106747673
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name4-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCC(C)N(C)CCNc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C12H19F3N4/c1-8(2)19(3)5-4-17-10-6-11(12(13,14)15)18-7-9(10)16/h6-8H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyQQFDPKOEGSBVBU-UHFFFAOYSA-N
XLogP2.43
TPSA54.18 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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106747673) is 4-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine is CC(C)N(C)CCNc1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 4-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is QQFDPKOEGSBVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-8(2)19(3)5-4-17-10-6-11(12(13,14)15)18-7-9(10)16/h6-8H,4-5,16H2,1-3H3,(H,17,18).
What are the key properties of 4-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 276.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106747673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).