2-methoxy-4-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol

C15H14N4O2S — CID 90967645

IUPAC2-methoxy-4-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol
SMILESCOc1cc(C/N=N/c2ncnc3c(C)csc23)ccc1O
InChIInChI=1S/C15H14N4O2S/c1-9-7-22-14-13(9)16-8-17-15(14)19-18-6-10-3-4-11(20)12(5-10)21-2/h3-5,7-8,20H,6H2,1-2H3/b19-18+
InChIKeyPCXJZYRIGLPOOO-VHEBQXMUSA-N
MW314.37 g/mol
LogP4.00
Rot. Bonds4

About 2-methoxy-4-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol

2-methoxy-4-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol (PubChem CID 90967645) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-methoxy-4-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol
PubChem CID90967645
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name2-methoxy-4-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol
SMILESCOc1cc(C/N=N/c2ncnc3c(C)csc23)ccc1O
InChIInChI=1S/C15H14N4O2S/c1-9-7-22-14-13(9)16-8-17-15(14)19-18-6-10-3-4-11(20)12(5-10)21-2/h3-5,7-8,20H,6H2,1-2H3/b19-18+
InChIKeyPCXJZYRIGLPOOO-VHEBQXMUSA-N
XLogP4.00
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol
CID 90936081
5-[[[6-(4-aminophenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]-2-methoxyphenol
CID 91417576
butyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)diazene
CID 91591966
6-(2-ethoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyldiazenyl]thieno[3,2-d]pyrimidine-7-carbonitrile
CID 91503262
5-[[(6-iodothieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]-2-methoxyphenol
CID 90710184
2-methoxy-4-[[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazenyl]methyl]phenol
CID 91895677
2-methoxy-5-[[[7-methyl-6-(2-prop-2-enoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]phenol
CID 91489453
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
(7-ethylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-3-ylmethyl)diazene
CID 90924504
6-(2-ethoxyphenyl)-4-[(3-hydroxy-4,5-dimethoxyphenyl)methyldiazenyl]thieno[3,2-d]pyrimidine-7-carbonitrile
CID 90880383
2-methoxy-6-[(E)-[(7-methylthieno[3,2-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135613728

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol?
The IUPAC name of 2-methoxy-4-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol (CID 90967645) is 2-methoxy-4-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol is COc1cc(C/N=N/c2ncnc3c(C)csc23)ccc1O.
What is the InChIKey of 2-methoxy-4-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol?
The InChIKey is PCXJZYRIGLPOOO-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-9-7-22-14-13(9)16-8-17-15(14)19-18-6-10-3-4-11(20)12(5-10)21-2/h3-5,7-8,20H,6H2,1-2H3/b19-18+.
What are the key properties of 2-methoxy-4-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol?
2-methoxy-4-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol has a molecular weight of 314.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol is sourced from PubChem (CID 90967645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).