6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine

C12H13N3S — CID 107647058

IUPAC6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
SMILESCSc1ccccc1Nc1cccc(N)n1
InChIInChI=1S/C12H13N3S/c1-16-10-6-3-2-5-9(10)14-12-8-4-7-11(13)15-12/h2-8H,1H3,(H3,13,14,15)
InChIKeyQDECCGQBVJJZHZ-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.13
Rot. Bonds3

About 6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine

6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine (PubChem CID 107647058) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
PubChem CID107647058
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
SMILESCSc1ccccc1Nc1cccc(N)n1
InChIInChI=1S/C12H13N3S/c1-16-10-6-3-2-5-9(10)14-12-8-4-7-11(13)15-12/h2-8H,1H3,(H3,13,14,15)
InChIKeyQDECCGQBVJJZHZ-UHFFFAOYSA-N
XLogP3.13
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Azaphenothiazine
CID 67496
N,N'-diphenylpyridine-2,6-diamine
CID 1311254
10H-Pyrido(3,2-b)(1,4)benzothiazine, 10-(3-(methylamino)propyl)-
CID 3051459
(6-Methyl-pyridin-2-yl)-(3-methylsulfanyl-pyridin-2-yl)-amine
CID 44404932
6-(Methylthio)-2-pyridinamine
CID 23423787
6-(Methylamino)-2-(2-methylsulfanylanilino)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 171788240
5-[(cyclopropylamino)methyl]-N-(2-methylsulfanylphenyl)pyridin-2-amine
CID 156287309
6-methyl-N~4~-[2-(methylthio)phenyl]-2,4-pyrimidinediamine
CID 56919796
6-methyl-N~4~-[3-(methylthio)phenyl]-2,4-pyrimidinediamine
CID 56921955
(2-Amino-6-methyl-3-pyridinyl) thiocyanate
CID 2802284
Bas 00028722
CID 835930
10H-Pyrimido[5,4-b][1,4]benzothiazine, 2,4-diamino-
CID 4678281

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine (CID 107647058) is 6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine is CSc1ccccc1Nc1cccc(N)n1.
What is the InChIKey of 6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine?
The InChIKey is QDECCGQBVJJZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-16-10-6-3-2-5-9(10)14-12-8-4-7-11(13)15-12/h2-8H,1H3,(H3,13,14,15).
What are the key properties of 6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine?
6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine has a molecular weight of 231.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine is sourced from PubChem (CID 107647058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).