(4,6-dimethoxy-1,3,5-triazin-2-yl) butanoate

C9H13N3O4 — CID 131847924

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl) butanoate
SMILESCCCC(=O)Oc1nc(OC)nc(OC)n1
InChIInChI=1S/C9H13N3O4/c1-4-5-6(13)16-9-11-7(14-2)10-8(12-9)15-3/h4-5H2,1-3H3
InChIKeyPFQWXKCOKSAJQL-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.59
Rot. Bonds5

About (4,6-dimethoxy-1,3,5-triazin-2-yl) butanoate

(4,6-dimethoxy-1,3,5-triazin-2-yl) butanoate (PubChem CID 131847924) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3,5-triazin-2-yl) butanoate.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl) butanoate
PubChem CID131847924
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl) butanoate
SMILESCCCC(=O)Oc1nc(OC)nc(OC)n1
InChIInChI=1S/C9H13N3O4/c1-4-5-6(13)16-9-11-7(14-2)10-8(12-9)15-3/h4-5H2,1-3H3
InChIKeyPFQWXKCOKSAJQL-UHFFFAOYSA-N
XLogP0.59
TPSA83.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4,6-dimethoxy-1,3,5-triazin-2-yl) butanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) butanoate?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) butanoate (CID 131847924) is (4,6-dimethoxy-1,3,5-triazin-2-yl) butanoate.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl) butanoate?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl) butanoate is CCCC(=O)Oc1nc(OC)nc(OC)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl) butanoate?
The InChIKey is PFQWXKCOKSAJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-4-5-6(13)16-9-11-7(14-2)10-8(12-9)15-3/h4-5H2,1-3H3.
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl) butanoate?
(4,6-dimethoxy-1,3,5-triazin-2-yl) butanoate has a molecular weight of 227.22 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxy-1,3,5-triazin-2-yl) butanoate is sourced from PubChem (CID 131847924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).