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

C12H11BrF3N3S — CID 102718632

IUPAC6-N-[(4-bromothiophen-2-yl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(NCc2cc(Br)cs2)n1
InChIInChI=1S/C12H11BrF3N3S/c1-17-10-2-7(12(14,15)16)3-11(19-10)18-5-9-4-8(13)6-20-9/h2-4,6H,5H2,1H3,(H2,17,18,19)
InChIKeyXLUSHMZLHYIQEG-UHFFFAOYSA-N
MW366.21 g/mol
LogP4.58
Rot. Bonds4

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

6-N-[(4-bromothiophen-2-yl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102718632) has the molecular formula C12H11BrF3N3S and a molecular weight of 366.21 g/mol. Its IUPAC name is 6-N-[(4-bromothiophen-2-yl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(4-bromothiophen-2-yl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102718632
Molecular FormulaC12H11BrF3N3S
Molecular Weight366.21 g/mol
Exact Mass364.98
IUPAC Name6-N-[(4-bromothiophen-2-yl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(NCc2cc(Br)cs2)n1
InChIInChI=1S/C12H11BrF3N3S/c1-17-10-2-7(12(14,15)16)3-11(19-10)18-5-9-4-8(13)6-20-9/h2-4,6H,5H2,1H3,(H2,17,18,19)
InChIKeyXLUSHMZLHYIQEG-UHFFFAOYSA-N
XLogP4.58
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-[(4-bromothiophen-2-yl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine with MolForge

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Related Compounds

4-N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565197
2-N-methyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 106411584
N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethylpyridin-2-amine
CID 115750528
6-N-[(4-chlorophenyl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717237
2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718475
2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717377
2-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol
CID 102719042
6-N-(2-methoxypropyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719521
N-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide
CID 106343111
N-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80969584
2-N-methyl-6-N-(thian-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719318
N-[(4-bromothiophen-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine
CID 115910602

Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-bromothiophen-2-yl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-[(4-bromothiophen-2-yl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102718632) is 6-N-[(4-bromothiophen-2-yl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(4-bromothiophen-2-yl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-[(4-bromothiophen-2-yl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine is CNc1cc(C(F)(F)F)cc(NCc2cc(Br)cs2)n1.
What is the InChIKey of 6-N-[(4-bromothiophen-2-yl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is XLUSHMZLHYIQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF3N3S/c1-17-10-2-7(12(14,15)16)3-11(19-10)18-5-9-4-8(13)6-20-9/h2-4,6H,5H2,1H3,(H2,17,18,19).
What are the key properties of 6-N-[(4-bromothiophen-2-yl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-[(4-bromothiophen-2-yl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 366.21 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-bromothiophen-2-yl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102718632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).