4-N-(furan-2-ylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine

C12H12F3N3O — CID 106747297

IUPAC4-N-(furan-2-ylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCN(Cc1ccco1)c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C12H12F3N3O/c1-18(7-8-3-2-4-19-8)10-5-11(12(13,14)15)17-6-9(10)16/h2-6H,7,16H2,1H3
InChIKeyNPTPITBVWJIGCN-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.91
Rot. Bonds3

About 4-N-(furan-2-ylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine

4-N-(furan-2-ylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106747297) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106747297
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name4-N-(furan-2-ylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCN(Cc1ccco1)c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C12H12F3N3O/c1-18(7-8-3-2-4-19-8)10-5-11(12(13,14)15)17-6-9(10)16/h2-6H,7,16H2,1H3
InChIKeyNPTPITBVWJIGCN-UHFFFAOYSA-N
XLogP2.91
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747402
4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747446
4-N-(cyclohexylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747423
4-N-(2-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747617
4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747303
4-N-(2,4-dimethylphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747622
6-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,3,6-triamine
CID 79828230
1-N-(furan-2-ylmethyl)-1-N-methyl-4-nitrobenzene-1,2-diamine
CID 62506135
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747884
2-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylquinolin-4-amine
CID 63374307
5-fluoro-2-[furan-2-ylmethyl(methyl)amino]benzenecarbothioamide
CID 63673360
4-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747912

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106747297) is 4-N-(furan-2-ylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine is CN(Cc1ccco1)c1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is NPTPITBVWJIGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-18(7-8-3-2-4-19-8)10-5-11(12(13,14)15)17-6-9(10)16/h2-6H,7,16H2,1H3.
What are the key properties of 4-N-(furan-2-ylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-(furan-2-ylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 271.24 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-2-ylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106747297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).