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

C13H19N5 — CID 654631

IUPAC2-N-(2,6-dimethylphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine
SMILESCc1cccc(C)c1NC1=NC(C)(C)N=C(N)N1
InChIInChI=1S/C13H19N5/c1-8-6-5-7-9(2)10(8)15-12-16-11(14)17-13(3,4)18-12/h5-7H,1-4H3,(H4,14,15,16,17,18)
InChIKeyOKHGGCCWIVGKKR-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.73
Rot. Bonds1

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

2-N-(2,6-dimethylphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine (PubChem CID 654631) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-N-(2,6-dimethylphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2,6-dimethylphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine
PubChem CID654631
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-N-(2,6-dimethylphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine
SMILESCc1cccc(C)c1NC1=NC(C)(C)N=C(N)N1
InChIInChI=1S/C13H19N5/c1-8-6-5-7-9(2)10(8)15-12-16-11(14)17-13(3,4)18-12/h5-7H,1-4H3,(H4,14,15,16,17,18)
InChIKeyOKHGGCCWIVGKKR-UHFFFAOYSA-N
XLogP1.73
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dimethylphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine?
The IUPAC name of 2-N-(2,6-dimethylphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine (CID 654631) is 2-N-(2,6-dimethylphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 2-N-(2,6-dimethylphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 2-N-(2,6-dimethylphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine is Cc1cccc(C)c1NC1=NC(C)(C)N=C(N)N1.
What is the InChIKey of 2-N-(2,6-dimethylphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine?
The InChIKey is OKHGGCCWIVGKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-8-6-5-7-9(2)10(8)15-12-16-11(14)17-13(3,4)18-12/h5-7H,1-4H3,(H4,14,15,16,17,18).
What are the key properties of 2-N-(2,6-dimethylphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine?
2-N-(2,6-dimethylphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine has a molecular weight of 245.33 g/mol, XLogP of 1.73, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dimethylphenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 654631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).