6,6-dimethyl-1-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine

C12H17N5S — CID 22401

IUPAC6,6-dimethyl-1-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCSc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C12H17N5S/c1-12(2)16-10(13)15-11(14)17(12)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3,(H4,13,14,15,16)
InChIKeyGYXWUBHCYWWAOK-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.59
Rot. Bonds2

About 6,6-dimethyl-1-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine

6,6-dimethyl-1-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 22401) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 6,6-dimethyl-1-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6,6-dimethyl-1-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID22401
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name6,6-dimethyl-1-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCSc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C12H17N5S/c1-12(2)16-10(13)15-11(14)17(12)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3,(H4,13,14,15,16)
InChIKeyGYXWUBHCYWWAOK-UHFFFAOYSA-N
XLogP1.59
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6,6-Dimethyl-1-[3-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 435373
4,6-Diamino-2,2-dimethyl-1,2-dihydro-1-phenyl-s-triazine
CID 19931
6,6-Dimethyl-1-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride
CID 102185
4,6-Diamino-1,2-dihydro-2,2-dimethyl-1-(4-phenylthiomethylphenyl)-1,3,5-triazine
CID 137346
2-(4-Methylsulfanylphenyl)guanidine
CID 4404280
N-(4-methylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 11390143
1-(4-Benzylsulfanylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 44280450
6-Ethyl-6-methyl-1-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 44522489
4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenethiol
CID 10014963
N-(4-cyclohexylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 11254374
1,3,5-Triazine-2,4-diamine, 1,1'-(thiodi-4,1-phenylene)bis(1,6-dihydro-6,6-dimethyl-, hydrochloride, hydrate (1:2:2)
CID 205892
Cycloguanide phenylsulfone
CID 161260

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6,6-dimethyl-1-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine (CID 22401) is 6,6-dimethyl-1-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6,6-dimethyl-1-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6,6-dimethyl-1-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine is CSc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1.
What is the InChIKey of 6,6-dimethyl-1-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GYXWUBHCYWWAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-12(2)16-10(13)15-11(14)17(12)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3,(H4,13,14,15,16).
What are the key properties of 6,6-dimethyl-1-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine?
6,6-dimethyl-1-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 263.37 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).