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

C11H11N3O4 — CID 175313595

IUPAC4,6-dimethoxy-2-(1,3,5-triazin-2-yl)benzene-1,3-diol
SMILESCOc1cc(OC)c(O)c(-c2ncncn2)c1O
InChIInChI=1S/C11H11N3O4/c1-17-6-3-7(18-2)10(16)8(9(6)15)11-13-4-12-5-14-11/h3-5,15-16H,1-2H3
InChIKeyDRFJXPSCJDIQNA-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.97
Rot. Bonds3

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

4,6-dimethoxy-2-(1,3,5-triazin-2-yl)benzene-1,3-diol (PubChem CID 175313595) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 4,6-dimethoxy-2-(1,3,5-triazin-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4,6-dimethoxy-2-(1,3,5-triazin-2-yl)benzene-1,3-diol
PubChem CID175313595
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name4,6-dimethoxy-2-(1,3,5-triazin-2-yl)benzene-1,3-diol
SMILESCOc1cc(OC)c(O)c(-c2ncncn2)c1O
InChIInChI=1S/C11H11N3O4/c1-17-6-3-7(18-2)10(16)8(9(6)15)11-13-4-12-5-14-11/h3-5,15-16H,1-2H3
InChIKeyDRFJXPSCJDIQNA-UHFFFAOYSA-N
XLogP0.97
TPSA97.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
CID 162316978
6-methoxyquinazolin-7-ol;hydrochloride
CID 174888473
3,5-dimethoxy-2,6-dimethylphenol
CID 25145990
2,6-diiodo-3,5-dimethoxyphenol
CID 10501483
2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
CID 83950774
3-(2,2-dimethylpropyl)-4-hydroxy-5-methoxybenzoic acid
CID 163051387
2,4-dimethoxynaphthalen-1-ol
CID 12563547
4-(4-hydroxy-3,5-dimethoxyphenyl)sulfanyl-2,6-dimethoxyphenol
CID 14993625
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
2-amino-4-methoxypyridin-3-ol
CID 22175065
CID 101406960
CID 101406960
methyl 4-hydroxy-3-iodo-5-methoxybenzoate
CID 53426739

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-(1,3,5-triazin-2-yl)benzene-1,3-diol?
The IUPAC name of 4,6-dimethoxy-2-(1,3,5-triazin-2-yl)benzene-1,3-diol (CID 175313595) is 4,6-dimethoxy-2-(1,3,5-triazin-2-yl)benzene-1,3-diol.
What is the SMILES notation for 4,6-dimethoxy-2-(1,3,5-triazin-2-yl)benzene-1,3-diol?
The canonical SMILES for 4,6-dimethoxy-2-(1,3,5-triazin-2-yl)benzene-1,3-diol is COc1cc(OC)c(O)c(-c2ncncn2)c1O.
What is the InChIKey of 4,6-dimethoxy-2-(1,3,5-triazin-2-yl)benzene-1,3-diol?
The InChIKey is DRFJXPSCJDIQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-17-6-3-7(18-2)10(16)8(9(6)15)11-13-4-12-5-14-11/h3-5,15-16H,1-2H3.
What are the key properties of 4,6-dimethoxy-2-(1,3,5-triazin-2-yl)benzene-1,3-diol?
4,6-dimethoxy-2-(1,3,5-triazin-2-yl)benzene-1,3-diol has a molecular weight of 249.23 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-(1,3,5-triazin-2-yl)benzene-1,3-diol is sourced from PubChem (CID 175313595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).