2-N,2-N,4-N-trimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine

C13H17N5S — CID 80886555

IUPAC2-N,2-N,4-N-trimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Sc2ccccc2C)nc(N(C)C)n1
InChIInChI=1S/C13H17N5S/c1-9-7-5-6-8-10(9)19-13-16-11(14-2)15-12(17-13)18(3)4/h5-8H,1-4H3,(H,14,15,16,17)
InChIKeyXAKFZXIAADWZGE-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.44
Rot. Bonds4

About 2-N,2-N,4-N-trimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N-trimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 80886555) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-N,2-N,4-N-trimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID80886555
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name2-N,2-N,4-N-trimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Sc2ccccc2C)nc(N(C)C)n1
InChIInChI=1S/C13H17N5S/c1-9-7-5-6-8-10(9)19-13-16-11(14-2)15-12(17-13)18(3)4/h5-8H,1-4H3,(H,14,15,16,17)
InChIKeyXAKFZXIAADWZGE-UHFFFAOYSA-N
XLogP2.44
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N,4-N-trimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-(2-fluorophenyl)sulfanyl-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80921868
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 102926985
4-hydrazinyl-N,N-dimethyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
CID 80925510
2-N,2-N,4-N-trimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
CID 104604969
2-N,2-N,4-N-trimethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80887563
6-(2,3-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80863930
4-chloro-N-ethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80886104
3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890214
4-N-[1-(2-chlorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80783650
N-methyl-4-(2-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334534
4-chloro-6-(2,4-dimethylphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62867894
6-(2,5-dimethylphenyl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80893862

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-trimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine (CID 80886555) is 2-N,2-N,4-N-trimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-trimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine is CNc1nc(Sc2ccccc2C)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XAKFZXIAADWZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-9-7-5-6-8-10(9)19-13-16-11(14-2)15-12(17-13)18(3)4/h5-8H,1-4H3,(H,14,15,16,17).
What are the key properties of 2-N,2-N,4-N-trimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N-trimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 275.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-trimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80886555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).