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

C9H13N3O2 — CID 86053139

IUPAC2,4-dimethoxy-6-(2-methylprop-2-enyl)-1,3,5-triazine
SMILESC=C(C)Cc1nc(OC)nc(OC)n1
InChIInChI=1S/C9H13N3O2/c1-6(2)5-7-10-8(13-3)12-9(11-7)14-4/h1,5H2,2-4H3
InChIKeyYQXPQQBMJLKBPJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.01
Rot. Bonds4

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

2,4-dimethoxy-6-(2-methylprop-2-enyl)-1,3,5-triazine (PubChem CID 86053139) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2,4-dimethoxy-6-(2-methylprop-2-enyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-(2-methylprop-2-enyl)-1,3,5-triazine
PubChem CID86053139
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2,4-dimethoxy-6-(2-methylprop-2-enyl)-1,3,5-triazine
SMILESC=C(C)Cc1nc(OC)nc(OC)n1
InChIInChI=1S/C9H13N3O2/c1-6(2)5-7-10-8(13-3)12-9(11-7)14-4/h1,5H2,2-4H3
InChIKeyYQXPQQBMJLKBPJ-UHFFFAOYSA-N
XLogP1.01
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,4-dimethoxy-6-(2-methylprop-2-enyl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-Dimethoxy-6-prop-2-enyl-1,3,5-triazine
CID 86053137
2,4-Dimethoxy-6-propan-2-yl-1,3,5-triazine
CID 86053141
2,4-Dimethoxy-6-(2-methylpropyl)-1,3,5-triazine
CID 86053140
2-[(E)-but-2-enyl]-4,6-dimethoxy-1,3,5-triazine
CID 135057009
2,4-Dimethoxy-6-(2-methylprop-1-enyl)-1,3,5-triazine
CID 86053156
2,4-Dimethoxy-6-propyl-1,3,5-triazine
CID 70473086
2,4,6-Tris(2-methylprop-2-enyl)-1,3,5-triazine
CID 139999940
2-Methoxy-4,6-bis(2-methylprop-2-enyl)-1,3,5-triazine
CID 140042898
2-Ethoxy-4,6-bis(2-methylprop-2-enyl)-1,3,5-triazine
CID 140042899

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-(2-methylprop-2-enyl)-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-(2-methylprop-2-enyl)-1,3,5-triazine (CID 86053139) is 2,4-dimethoxy-6-(2-methylprop-2-enyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-(2-methylprop-2-enyl)-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-(2-methylprop-2-enyl)-1,3,5-triazine is C=C(C)Cc1nc(OC)nc(OC)n1.
What is the InChIKey of 2,4-dimethoxy-6-(2-methylprop-2-enyl)-1,3,5-triazine?
The InChIKey is YQXPQQBMJLKBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(2)5-7-10-8(13-3)12-9(11-7)14-4/h1,5H2,2-4H3.
What are the key properties of 2,4-dimethoxy-6-(2-methylprop-2-enyl)-1,3,5-triazine?
2,4-dimethoxy-6-(2-methylprop-2-enyl)-1,3,5-triazine has a molecular weight of 195.22 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-(2-methylprop-2-enyl)-1,3,5-triazine is sourced from PubChem (CID 86053139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).