4-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol

C21H22N2O5 — CID 24822077

IUPAC4-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol
SMILESCOc1cc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)cnc2N)ccc1O
InChIInChI=1S/C21H22N2O5/c1-25-17-8-12(5-6-16(17)24)15-7-14(11-23-21(15)22)13-9-18(26-2)20(28-4)19(10-13)27-3/h5-11,24H,1-4H3,(H2,22,23)
InChIKeyGUBPYJJIGUBALI-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.74
Rot. Bonds6

About 4-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol

4-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol (PubChem CID 24822077) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol
PubChem CID24822077
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name4-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol
SMILESCOc1cc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)cnc2N)ccc1O
InChIInChI=1S/C21H22N2O5/c1-25-17-8-12(5-6-16(17)24)15-7-14(11-23-21(15)22)13-9-18(26-2)20(28-4)19(10-13)27-3/h5-11,24H,1-4H3,(H2,22,23)
InChIKeyGUBPYJJIGUBALI-UHFFFAOYSA-N
XLogP3.74
TPSA96.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-((2,4-Diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenol
CID 10423570
K02288
CID 46173038
3-Demethyltrimethoprim
CID 12849769
4-[2-Amino-5-(4-hydroxy-3-methoxyphenyl)pyridin-3-yl]benzamide
CID 44520782
5-(3-Ethoxy-4-(3,4,5-trimethoxybenzyloxy)benzyl)pyrimidine-2,4-diamine
CID 10365962
2-[5-(3,4-Dimethoxyphenyl)pyrimidin-4-yl]-5-ethoxyphenol
CID 4895475
4-[2-Amino-5-(4-methylsulfonylphenyl)-3-pyridyl]-2-methoxy-phenol
CID 44525553
4-Methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine
CID 139030515
4-Methyl-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine
CID 146037627
4-Methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine
CID 146672975
5-(3-Propoxy-4-(3,4,5-trimethoxybenzyloxy)benzyl)pyrimidine-2,4-diamine
CID 10434110
5-(3-Methoxy-4-(3,4,5-trimethoxybenzyloxy)benzyl)pyrimidine-2,4-diamine
CID 11026309

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol?
The IUPAC name of 4-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol (CID 24822077) is 4-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol.
What is the SMILES notation for 4-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol?
The canonical SMILES for 4-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol is COc1cc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)cnc2N)ccc1O.
What is the InChIKey of 4-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol?
The InChIKey is GUBPYJJIGUBALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-25-17-8-12(5-6-16(17)24)15-7-14(11-23-21(15)22)13-9-18(26-2)20(28-4)19(10-13)27-3/h5-11,24H,1-4H3,(H2,22,23).
What are the key properties of 4-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol?
4-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol has a molecular weight of 382.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol is sourced from PubChem (CID 24822077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).