4-N-(4-aminophenyl)sulfanyl-2-N,6-N-dimethylpyridine-2,4,6-triamine

C13H17N5S — CID 143598378

IUPAC4-N-(4-aminophenyl)sulfanyl-2-N,6-N-dimethylpyridine-2,4,6-triamine
SMILESCNc1cc(NSc2ccc(N)cc2)cc(NC)n1
InChIInChI=1S/C13H17N5S/c1-15-12-7-10(8-13(16-2)17-12)18-19-11-5-3-9(14)4-6-11/h3-8H,14H2,1-2H3,(H3,15,16,17,18)
InChIKeyUWMYJOOIWIVOIS-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.87
Rot. Bonds5

About 4-N-(4-aminophenyl)sulfanyl-2-N,6-N-dimethylpyridine-2,4,6-triamine

4-N-(4-aminophenyl)sulfanyl-2-N,6-N-dimethylpyridine-2,4,6-triamine (PubChem CID 143598378) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-N-(4-aminophenyl)sulfanyl-2-N,6-N-dimethylpyridine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(4-aminophenyl)sulfanyl-2-N,6-N-dimethylpyridine-2,4,6-triamine
PubChem CID143598378
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name4-N-(4-aminophenyl)sulfanyl-2-N,6-N-dimethylpyridine-2,4,6-triamine
SMILESCNc1cc(NSc2ccc(N)cc2)cc(NC)n1
InChIInChI=1S/C13H17N5S/c1-15-12-7-10(8-13(16-2)17-12)18-19-11-5-3-9(14)4-6-11/h3-8H,14H2,1-2H3,(H3,15,16,17,18)
InChIKeyUWMYJOOIWIVOIS-UHFFFAOYSA-N
XLogP2.87
TPSA75.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-aminophenyl)sulfanyl-1-N-pyridin-4-ylbenzene-1,4-diamine
CID 157043975
N-(4-aminophenyl)sulfanyl-5-methyl-1,3,4-thiadiazol-2-amine
CID 89188135
4-(4-aminophenyl)sulfanyl-N-methylpyridin-2-amine
CID 67177740
4-amino-N-[2-(ethylamino)-6-(methylamino)-4-pyridinyl]benzenesulfonamide
CID 19353515
2-N,6-dimethylpyridine-2,4-diamine
CID 89064382
N-(4-aminophenyl)sulfanyl-2-methoxyaniline
CID 143924264
5-[(4-aminophenyl)sulfanylamino]-2-(trifluoromethyl)phenol;pyrrolidine
CID 142896222
N-(4-aminophenyl)sulfanyl-5,6-dimethoxypyrimidin-4-amine
CID 118374959
6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine
CID 80769134
N-(4-aminophenyl)sulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine
CID 145367834
2-N,6-N-bis(4-aminophenyl)pyridine-2,6-diamine
CID 141294407
2-N,4-N-dimethylpyrimidine-2,4,6-triamine
CID 70500672

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-aminophenyl)sulfanyl-2-N,6-N-dimethylpyridine-2,4,6-triamine?
The IUPAC name of 4-N-(4-aminophenyl)sulfanyl-2-N,6-N-dimethylpyridine-2,4,6-triamine (CID 143598378) is 4-N-(4-aminophenyl)sulfanyl-2-N,6-N-dimethylpyridine-2,4,6-triamine.
What is the SMILES notation for 4-N-(4-aminophenyl)sulfanyl-2-N,6-N-dimethylpyridine-2,4,6-triamine?
The canonical SMILES for 4-N-(4-aminophenyl)sulfanyl-2-N,6-N-dimethylpyridine-2,4,6-triamine is CNc1cc(NSc2ccc(N)cc2)cc(NC)n1.
What is the InChIKey of 4-N-(4-aminophenyl)sulfanyl-2-N,6-N-dimethylpyridine-2,4,6-triamine?
The InChIKey is UWMYJOOIWIVOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-15-12-7-10(8-13(16-2)17-12)18-19-11-5-3-9(14)4-6-11/h3-8H,14H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N-(4-aminophenyl)sulfanyl-2-N,6-N-dimethylpyridine-2,4,6-triamine?
4-N-(4-aminophenyl)sulfanyl-2-N,6-N-dimethylpyridine-2,4,6-triamine has a molecular weight of 275.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-aminophenyl)sulfanyl-2-N,6-N-dimethylpyridine-2,4,6-triamine is sourced from PubChem (CID 143598378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).