6-(2,5-dimethylphenyl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C13H17N5S — CID 80893862

IUPAC6-(2,5-dimethylphenyl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(C)c(Sc2nc(N)nc(N(C)C)n2)c1
InChIInChI=1S/C13H17N5S/c1-8-5-6-9(2)10(7-8)19-13-16-11(14)15-12(17-13)18(3)4/h5-7H,1-4H3,(H2,14,15,16,17)
InChIKeyQMMFEKJEMUKBNM-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.29
Rot. Bonds3

About 6-(2,5-dimethylphenyl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-(2,5-dimethylphenyl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80893862) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 6-(2,5-dimethylphenyl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2,5-dimethylphenyl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80893862
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name6-(2,5-dimethylphenyl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(C)c(Sc2nc(N)nc(N(C)C)n2)c1
InChIInChI=1S/C13H17N5S/c1-8-5-6-9(2)10(7-8)19-13-16-11(14)15-12(17-13)18(3)4/h5-7H,1-4H3,(H2,14,15,16,17)
InChIKeyQMMFEKJEMUKBNM-UHFFFAOYSA-N
XLogP2.29
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenyl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2,5-dimethylphenyl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 80893862) is 6-(2,5-dimethylphenyl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2,5-dimethylphenyl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2,5-dimethylphenyl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is Cc1ccc(C)c(Sc2nc(N)nc(N(C)C)n2)c1.
What is the InChIKey of 6-(2,5-dimethylphenyl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is QMMFEKJEMUKBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-8-5-6-9(2)10(7-8)19-13-16-11(14)15-12(17-13)18(3)4/h5-7H,1-4H3,(H2,14,15,16,17).
What are the key properties of 6-(2,5-dimethylphenyl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(2,5-dimethylphenyl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 275.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenyl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80893862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).