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

C13H19ClN5- — CID 21177162

IUPAC1-(2,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine chloride
SMILESCc1ccc(N2C(N)=NC(N)=NC2(C)C)c(C)c1.[Cl-]
InChIInChI=1S/C13H19N5.ClH/c1-8-5-6-10(9(2)7-8)18-12(15)16-11(14)17-13(18,3)4;/h5-7H,1-4H3,(H4,14,15,16,17);1H/p-1
InChIKeyCFZYOXZTGCTTKO-UHFFFAOYSA-M
MW280.78 g/mol
LogP-1.51
Rot. Bonds1

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

1-(2,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine chloride (PubChem CID 21177162) has the molecular formula C13H19ClN5- and a molecular weight of 280.78 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine chloride.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine chloride
PubChem CID21177162
Molecular FormulaC13H19ClN5-
Molecular Weight280.78 g/mol
Exact Mass280.13
IUPAC Name1-(2,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine chloride
SMILESCc1ccc(N2C(N)=NC(N)=NC2(C)C)c(C)c1.[Cl-]
InChIInChI=1S/C13H19N5.ClH/c1-8-5-6-10(9(2)7-8)18-12(15)16-11(14)17-13(18,3)4;/h5-7H,1-4H3,(H4,14,15,16,17);1H/p-1
InChIKeyCFZYOXZTGCTTKO-UHFFFAOYSA-M
XLogP-1.51
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine chloride?
The IUPAC name of 1-(2,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine chloride (CID 21177162) is 1-(2,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine chloride.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine chloride?
The canonical SMILES for 1-(2,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine chloride is Cc1ccc(N2C(N)=NC(N)=NC2(C)C)c(C)c1.[Cl-].
What is the InChIKey of 1-(2,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine chloride?
The InChIKey is CFZYOXZTGCTTKO-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H19N5.ClH/c1-8-5-6-10(9(2)7-8)18-12(15)16-11(14)17-13(18,3)4;/h5-7H,1-4H3,(H4,14,15,16,17);1H/p-1.
What are the key properties of 1-(2,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine chloride?
1-(2,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine chloride has a molecular weight of 280.78 g/mol, XLogP of -1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine chloride is sourced from PubChem (CID 21177162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).