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

C9H13N3O2 — CID 86053156

IUPAC2,4-dimethoxy-6-(2-methylprop-1-enyl)-1,3,5-triazine
SMILESCOc1nc(C=C(C)C)nc(OC)n1
InChIInChI=1S/C9H13N3O2/c1-6(2)5-7-10-8(13-3)12-9(11-7)14-4/h5H,1-4H3
InChIKeyJBFLJMVEPANINM-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.31
Rot. Bonds3

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

2,4-dimethoxy-6-(2-methylprop-1-enyl)-1,3,5-triazine (PubChem CID 86053156) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2,4-dimethoxy-6-(2-methylprop-1-enyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-(2-methylprop-1-enyl)-1,3,5-triazine
PubChem CID86053156
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2,4-dimethoxy-6-(2-methylprop-1-enyl)-1,3,5-triazine
SMILESCOc1nc(C=C(C)C)nc(OC)n1
InChIInChI=1S/C9H13N3O2/c1-6(2)5-7-10-8(13-3)12-9(11-7)14-4/h5H,1-4H3
InChIKeyJBFLJMVEPANINM-UHFFFAOYSA-N
XLogP1.31
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-(2-methylprop-1-enyl)-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-(2-methylprop-1-enyl)-1,3,5-triazine (CID 86053156) is 2,4-dimethoxy-6-(2-methylprop-1-enyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-(2-methylprop-1-enyl)-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-(2-methylprop-1-enyl)-1,3,5-triazine is COc1nc(C=C(C)C)nc(OC)n1.
What is the InChIKey of 2,4-dimethoxy-6-(2-methylprop-1-enyl)-1,3,5-triazine?
The InChIKey is JBFLJMVEPANINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(2)5-7-10-8(13-3)12-9(11-7)14-4/h5H,1-4H3.
What are the key properties of 2,4-dimethoxy-6-(2-methylprop-1-enyl)-1,3,5-triazine?
2,4-dimethoxy-6-(2-methylprop-1-enyl)-1,3,5-triazine has a molecular weight of 195.22 g/mol, XLogP of 1.31, 3 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-1-enyl)-1,3,5-triazine is sourced from PubChem (CID 86053156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).