6-N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine

C12H12F3N3S — CID 102718258

IUPAC6-N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCc1ccc(CNc2cc(C(F)(F)F)cc(N)n2)s1
InChIInChI=1S/C12H12F3N3S/c1-7-2-3-9(19-7)6-17-11-5-8(12(13,14)15)4-10(16)18-11/h2-5H,6H2,1H3,(H3,16,17,18)
InChIKeyMFRQWFBWQBQAMI-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.66
Rot. Bonds3

About 6-N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102718258) has the molecular formula C12H12F3N3S and a molecular weight of 287.31 g/mol. Its IUPAC name is 6-N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102718258
Molecular FormulaC12H12F3N3S
Molecular Weight287.31 g/mol
Exact Mass287.07
IUPAC Name6-N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCc1ccc(CNc2cc(C(F)(F)F)cc(N)n2)s1
InChIInChI=1S/C12H12F3N3S/c1-7-2-3-9(19-7)6-17-11-5-8(12(13,14)15)4-10(16)18-11/h2-5H,6H2,1H3,(H3,16,17,18)
InChIKeyMFRQWFBWQBQAMI-UHFFFAOYSA-N
XLogP3.66
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717360
2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine
CID 78988898
6-N-[(3-methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718483
6-N-[2-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 106043006
6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717976
6-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 106041353
6-N-[(2-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717295
6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3,6-triamine
CID 79825619
4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine
CID 80818112
6-N-ethyl-2-methylsulfanyl-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80818024
3-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentan-3-ol
CID 102718731
2-N-[(5-methylthiophen-2-yl)methyl]quinoline-2,6-diamine
CID 62057050

Frequently Asked Questions

What is the IUPAC name of 6-N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102718258) is 6-N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine is Cc1ccc(CNc2cc(C(F)(F)F)cc(N)n2)s1.
What is the InChIKey of 6-N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is MFRQWFBWQBQAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3S/c1-7-2-3-9(19-7)6-17-11-5-8(12(13,14)15)4-10(16)18-11/h2-5H,6H2,1H3,(H3,16,17,18).
What are the key properties of 6-N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 287.31 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102718258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).