6-N-[(1-methylsulfanylcyclopropyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine

C11H14F3N3S — CID 114117760

IUPAC6-N-[(1-methylsulfanylcyclopropyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCSC1(CNc2cc(C(F)(F)F)cc(N)n2)CC1
InChIInChI=1S/C11H14F3N3S/c1-18-10(2-3-10)6-16-9-5-7(11(12,13)14)4-8(15)17-9/h4-5H,2-3,6H2,1H3,(H3,15,16,17)
InChIKeyHZNFHLVBAIXGJQ-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.99
Rot. Bonds4

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

6-N-[(1-methylsulfanylcyclopropyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 114117760) has the molecular formula C11H14F3N3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 6-N-[(1-methylsulfanylcyclopropyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(1-methylsulfanylcyclopropyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID114117760
Molecular FormulaC11H14F3N3S
Molecular Weight277.31 g/mol
Exact Mass277.09
IUPAC Name6-N-[(1-methylsulfanylcyclopropyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCSC1(CNc2cc(C(F)(F)F)cc(N)n2)CC1
InChIInChI=1S/C11H14F3N3S/c1-18-10(2-3-10)6-16-9-5-7(11(12,13)14)4-8(15)17-9/h4-5H,2-3,6H2,1H3,(H3,15,16,17)
InChIKeyHZNFHLVBAIXGJQ-UHFFFAOYSA-N
XLogP2.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 102718737
6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717360
3-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentan-3-ol
CID 102718731
6-N-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719029
6-N-[(3-methylcyclopentyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 107415860
6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719346
6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717244
3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol
CID 102718825
6-N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718258
6-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718410
6-N-[(3-methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718483
6-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 106041353

Frequently Asked Questions

What is the IUPAC name of 6-N-[(1-methylsulfanylcyclopropyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-[(1-methylsulfanylcyclopropyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine (CID 114117760) is 6-N-[(1-methylsulfanylcyclopropyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(1-methylsulfanylcyclopropyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-[(1-methylsulfanylcyclopropyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine is CSC1(CNc2cc(C(F)(F)F)cc(N)n2)CC1.
What is the InChIKey of 6-N-[(1-methylsulfanylcyclopropyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is HZNFHLVBAIXGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3S/c1-18-10(2-3-10)6-16-9-5-7(11(12,13)14)4-8(15)17-9/h4-5H,2-3,6H2,1H3,(H3,15,16,17).
What are the key properties of 6-N-[(1-methylsulfanylcyclopropyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-[(1-methylsulfanylcyclopropyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 277.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1-methylsulfanylcyclopropyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 114117760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).