6-(2-ethenyl-4,5-dimethoxyphenyl)-1H-1,3,5-triazine-2,4-dione

C13H13N3O4 — CID 14667360

IUPAC6-(2-ethenyl-4,5-dimethoxyphenyl)-1H-1,3,5-triazine-2,4-dione
SMILESC=Cc1cc(OC)c(OC)cc1-c1nc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C13H13N3O4/c1-4-7-5-9(19-2)10(20-3)6-8(7)11-14-12(17)16-13(18)15-11/h4-6H,1H2,2-3H3,(H2,14,15,16,17,18)
InChIKeyHALAZLDELMGUGT-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.79
Rot. Bonds4

About 6-(2-ethenyl-4,5-dimethoxyphenyl)-1H-1,3,5-triazine-2,4-dione

6-(2-ethenyl-4,5-dimethoxyphenyl)-1H-1,3,5-triazine-2,4-dione (PubChem CID 14667360) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 6-(2-ethenyl-4,5-dimethoxyphenyl)-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-(2-ethenyl-4,5-dimethoxyphenyl)-1H-1,3,5-triazine-2,4-dione
PubChem CID14667360
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name6-(2-ethenyl-4,5-dimethoxyphenyl)-1H-1,3,5-triazine-2,4-dione
SMILESC=Cc1cc(OC)c(OC)cc1-c1nc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C13H13N3O4/c1-4-7-5-9(19-2)10(20-3)6-8(7)11-14-12(17)16-13(18)15-11/h4-6H,1H2,2-3H3,(H2,14,15,16,17,18)
InChIKeyHALAZLDELMGUGT-UHFFFAOYSA-N
XLogP0.79
TPSA97.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2-ethenyl-4,5-dimethoxyphenyl)-1H-1,3,5-triazine-2,4-dione 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

3-(3,4-Dimethoxyphenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one
CID 135988488
6-(4-methoxyphenyl)-1,3,5-triazine-2,4(1H,3H)-dione
CID 3894789
4-[amino(trifluoromethyl)amino]-6-(3,4-diethoxyphenyl)-1H-1,3,5-triazin-2-one
CID 135609562
6-(3,4-dimethoxyphenyl)-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one
CID 136109359
3-(4-ethoxy-3-methoxyphenyl)-4H-1,2,4-oxadiazol-5-one
CID 136099824
6-(2-fluoro-3-methoxyphenyl)-4-methoxy-1H-1,3,5-triazin-2-one
CID 106520509
6-(2-fluoro-4-methoxyphenyl)-4-methoxy-1H-1,3,5-triazin-2-one
CID 106520909
6-(3-fluoro-4-methoxyphenyl)-4-methoxy-1H-1,3,5-triazin-2-one
CID 113844367
3-[3-(difluoromethoxy)-4-methoxyphenyl]-4H-1,2,4-oxadiazol-5-one
CID 136019560
2-(3,4-dimethoxyphenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136228906
4-Amino-6-(3,4-dimethoxyphenyl)-1-methyl-pyrimidin-2-one
CID 86578899
6,7-Dimethoxy-3,4-dihydroisoquinolin-1-amine
CID 13108047

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethenyl-4,5-dimethoxyphenyl)-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-(2-ethenyl-4,5-dimethoxyphenyl)-1H-1,3,5-triazine-2,4-dione (CID 14667360) is 6-(2-ethenyl-4,5-dimethoxyphenyl)-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-(2-ethenyl-4,5-dimethoxyphenyl)-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-(2-ethenyl-4,5-dimethoxyphenyl)-1H-1,3,5-triazine-2,4-dione is C=Cc1cc(OC)c(OC)cc1-c1nc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(2-ethenyl-4,5-dimethoxyphenyl)-1H-1,3,5-triazine-2,4-dione?
The InChIKey is HALAZLDELMGUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-4-7-5-9(19-2)10(20-3)6-8(7)11-14-12(17)16-13(18)15-11/h4-6H,1H2,2-3H3,(H2,14,15,16,17,18).
What are the key properties of 6-(2-ethenyl-4,5-dimethoxyphenyl)-1H-1,3,5-triazine-2,4-dione?
6-(2-ethenyl-4,5-dimethoxyphenyl)-1H-1,3,5-triazine-2,4-dione has a molecular weight of 275.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethenyl-4,5-dimethoxyphenyl)-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 14667360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).