2,4-dimethyl-6-(2-methylprop-1-enyl)-1,3,5-triazine

C9H13N3 — CID 85377392

IUPAC2,4-dimethyl-6-(2-methylprop-1-enyl)-1,3,5-triazine
SMILESCC(C)=Cc1nc(C)nc(C)n1
InChIInChI=1S/C9H13N3/c1-6(2)5-9-11-7(3)10-8(4)12-9/h5H,1-4H3
InChIKeyUFPFKDZJSNZYKL-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.91
Rot. Bonds1

About 2,4-dimethyl-6-(2-methylprop-1-enyl)-1,3,5-triazine

2,4-dimethyl-6-(2-methylprop-1-enyl)-1,3,5-triazine (PubChem CID 85377392) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2,4-dimethyl-6-(2-methylprop-1-enyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethyl-6-(2-methylprop-1-enyl)-1,3,5-triazine
PubChem CID85377392
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2,4-dimethyl-6-(2-methylprop-1-enyl)-1,3,5-triazine
SMILESCC(C)=Cc1nc(C)nc(C)n1
InChIInChI=1S/C9H13N3/c1-6(2)5-9-11-7(3)10-8(4)12-9/h5H,1-4H3
InChIKeyUFPFKDZJSNZYKL-UHFFFAOYSA-N
XLogP1.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(2-methylprop-1-enyl)-1,3,5-triazine?
The IUPAC name of 2,4-dimethyl-6-(2-methylprop-1-enyl)-1,3,5-triazine (CID 85377392) is 2,4-dimethyl-6-(2-methylprop-1-enyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethyl-6-(2-methylprop-1-enyl)-1,3,5-triazine?
The canonical SMILES for 2,4-dimethyl-6-(2-methylprop-1-enyl)-1,3,5-triazine is CC(C)=Cc1nc(C)nc(C)n1.
What is the InChIKey of 2,4-dimethyl-6-(2-methylprop-1-enyl)-1,3,5-triazine?
The InChIKey is UFPFKDZJSNZYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-6(2)5-9-11-7(3)10-8(4)12-9/h5H,1-4H3.
What are the key properties of 2,4-dimethyl-6-(2-methylprop-1-enyl)-1,3,5-triazine?
2,4-dimethyl-6-(2-methylprop-1-enyl)-1,3,5-triazine has a molecular weight of 163.22 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(2-methylprop-1-enyl)-1,3,5-triazine is sourced from PubChem (CID 85377392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).