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

C14H12N4OS — CID 90936081

IUPAC3-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol
SMILESCc1csc2c(/N=N/Cc3cccc(O)c3)ncnc12
InChIInChI=1S/C14H12N4OS/c1-9-7-20-13-12(9)15-8-16-14(13)18-17-6-10-3-2-4-11(19)5-10/h2-5,7-8,19H,6H2,1H3/b18-17+
InChIKeyQGLVQUOYICMWMQ-ISLYRVAYSA-N
MW284.34 g/mol
LogP3.99
Rot. Bonds3

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

3-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol (PubChem CID 90936081) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol.

Molecular Properties

Compound Name3-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol
PubChem CID90936081
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name3-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol
SMILESCc1csc2c(/N=N/Cc3cccc(O)c3)ncnc12
InChIInChI=1S/C14H12N4OS/c1-9-7-20-13-12(9)15-8-16-14(13)18-17-6-10-3-2-4-11(19)5-10/h2-5,7-8,19H,6H2,1H3/b18-17+
InChIKeyQGLVQUOYICMWMQ-ISLYRVAYSA-N
XLogP3.99
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-methoxy-4-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol
CID 90967645
butyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)diazene
CID 91591966
3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenol
CID 102687000
(7-ethylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-3-ylmethyl)diazene
CID 90924504
(7-methylthieno[3,2-d]pyrimidin-4-yl)-(oxolan-3-ylmethyl)diazene
CID 91381427
N-[3-(aminomethyl)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102687355
3-[7-methyl-4-(pyridin-3-ylmethyldiazenyl)thieno[3,2-d]pyrimidin-6-yl]aniline
CID 91108299
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline
CID 102686745
2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenol
CID 102686720
4,7-dimethylthieno[3,2-d]pyrimidine;ethane
CID 143718970
2-(7-methylthieno[3,2-d]pyrimidin-4-yl)ethanamine
CID 102687222
3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685652

Frequently Asked Questions

What is the IUPAC name of 3-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol?
The IUPAC name of 3-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol (CID 90936081) is 3-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol.
What is the SMILES notation for 3-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol?
The canonical SMILES for 3-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol is Cc1csc2c(/N=N/Cc3cccc(O)c3)ncnc12.
What is the InChIKey of 3-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol?
The InChIKey is QGLVQUOYICMWMQ-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-9-7-20-13-12(9)15-8-16-14(13)18-17-6-10-3-2-4-11(19)5-10/h2-5,7-8,19H,6H2,1H3/b18-17+.
What are the key properties of 3-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol?
3-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol has a molecular weight of 284.34 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol is sourced from PubChem (CID 90936081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).