5-[[[6-(4-aminophenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]-2-methoxyphenol

C21H19N5O2S — CID 91417576

IUPAC5-[[[6-(4-aminophenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]-2-methoxyphenol
SMILESCOc1ccc(C/N=N/c2ncnc3c(C)c(-c4ccc(N)cc4)sc23)cc1O
InChIInChI=1S/C21H19N5O2S/c1-12-18-20(29-19(12)14-4-6-15(22)7-5-14)21(24-11-23-18)26-25-10-13-3-8-17(28-2)16(27)9-13/h3-9,11,27H,10,22H2,1-2H3/b26-25+
InChIKeyGMCVKDOTQYFOKQ-OCEACIFDSA-N
MW405.48 g/mol
LogP5.25
Rot. Bonds5

About 5-[[[6-(4-aminophenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]-2-methoxyphenol

5-[[[6-(4-aminophenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]-2-methoxyphenol (PubChem CID 91417576) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is 5-[[[6-(4-aminophenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[[6-(4-aminophenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]-2-methoxyphenol
PubChem CID91417576
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC Name5-[[[6-(4-aminophenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]-2-methoxyphenol
SMILESCOc1ccc(C/N=N/c2ncnc3c(C)c(-c4ccc(N)cc4)sc23)cc1O
InChIInChI=1S/C21H19N5O2S/c1-12-18-20(29-19(12)14-4-6-15(22)7-5-14)21(24-11-23-18)26-25-10-13-3-8-17(28-2)16(27)9-13/h3-9,11,27H,10,22H2,1-2H3/b26-25+
InChIKeyGMCVKDOTQYFOKQ-OCEACIFDSA-N
XLogP5.25
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.48
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-[[[7-methyl-6-(2-prop-2-enoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]phenol
CID 91489453
2-[4-[(3-hydroxy-4-methoxyphenyl)methyldiazenyl]-7-methylthieno[3,2-d]pyrimidin-6-yl]benzonitrile
CID 91144431
5-[[[6-(2-ethoxy-4-fluorophenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]-2-methoxyphenol
CID 91300419
6-(2-ethoxy-4-fluorophenyl)-4-[(3-hydroxy-4-methoxyphenyl)methyldiazenyl]thieno[3,2-d]pyrimidin-7-ol
CID 91452811
5-[[(6-iodothieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]-2-methoxyphenol
CID 90710184
2-methoxy-4-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol
CID 90967645
[6-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-(pyridin-3-ylmethyl)diazene
CID 91061860
6-(2-ethoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyldiazenyl]thieno[3,2-d]pyrimidine-7-carbonitrile
CID 91503262
6-(2-ethoxyphenyl)-4-[(3-hydroxy-4,5-dimethoxyphenyl)methyldiazenyl]thieno[3,2-d]pyrimidine-7-carbonitrile
CID 90880383
6-(2-ethoxyphenyl)-4-[(5-methylfuran-2-yl)methyldiazenyl]thieno[3,2-d]pyrimidin-7-ol
CID 91065845
5-[[[6-(2-ethoxyphenyl)-7-methoxythieno[3,2-d]pyrimidin-2-yl]diazenyl]methyl]-2-methoxyphenol
CID 90940228
2-methoxy-4-[[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazenyl]methyl]phenol
CID 91895677

Frequently Asked Questions

What is the IUPAC name of 5-[[[6-(4-aminophenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[[6-(4-aminophenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]-2-methoxyphenol (CID 91417576) is 5-[[[6-(4-aminophenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[[6-(4-aminophenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[[6-(4-aminophenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]-2-methoxyphenol is COc1ccc(C/N=N/c2ncnc3c(C)c(-c4ccc(N)cc4)sc23)cc1O.
What is the InChIKey of 5-[[[6-(4-aminophenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]-2-methoxyphenol?
The InChIKey is GMCVKDOTQYFOKQ-OCEACIFDSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-12-18-20(29-19(12)14-4-6-15(22)7-5-14)21(24-11-23-18)26-25-10-13-3-8-17(28-2)16(27)9-13/h3-9,11,27H,10,22H2,1-2H3/b26-25+.
What are the key properties of 5-[[[6-(4-aminophenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]-2-methoxyphenol?
5-[[[6-(4-aminophenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]-2-methoxyphenol has a molecular weight of 405.48 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[6-(4-aminophenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]-2-methoxyphenol is sourced from PubChem (CID 91417576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).