2-methoxy-6-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol

C20H16N4O2S — CID 135476824

IUPAC2-methoxy-6-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cccc(/C=N/Nc2ncnc3scc(-c4ccccc4)c23)c1O
InChIInChI=1S/C20H16N4O2S/c1-26-16-9-5-8-14(18(16)25)10-23-24-19-17-15(13-6-3-2-4-7-13)11-27-20(17)22-12-21-19/h2-12,25H,1H3,(H,21,22,24)/b23-10+
InChIKeySHKPGEAUAUBOMX-AUEPDCJTSA-N
MW376.44 g/mol
LogP4.52
Rot. Bonds5

About 2-methoxy-6-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol

2-methoxy-6-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 135476824) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-methoxy-6-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID135476824
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name2-methoxy-6-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cccc(/C=N/Nc2ncnc3scc(-c4ccccc4)c23)c1O
InChIInChI=1S/C20H16N4O2S/c1-26-16-9-5-8-14(18(16)25)10-23-24-19-17-15(13-6-3-2-4-7-13)11-27-20(17)22-12-21-19/h2-12,25H,1H3,(H,21,22,24)/b23-10+
InChIKeySHKPGEAUAUBOMX-AUEPDCJTSA-N
XLogP4.52
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 2401215
N-[2-(3,4-dimethoxyphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 2100093
4-[(2E)-2-(2,3-dimethoxybenzylidene)hydrazinyl]-5-phenylthieno[2,3-d]pyrimidine
CID 9635544
[4-[4-(Benzylamino)thieno[2,3-d]pyrimidin-6-yl]-3-methoxyphenyl]methanol
CID 117803687
(E)-1-((2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazono)methyl)naphthalen-2-ol
CID 135532991
3-{(E)-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl}phenol
CID 9624764
4-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-5-phenylthieno[2,3-d]pyrimidine
CID 9633383
2-Methoxy-5-[(2-{8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-yl}hydrazin-1-ylidene)methyl]phenol
CID 9667903
5-(4-chlorophenyl)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 118712230
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 118712232
6-(2,3-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 127029520
2-{(E)-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl}phenol
CID 135498054

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-6-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol (CID 135476824) is 2-methoxy-6-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol is COc1cccc(/C=N/Nc2ncnc3scc(-c4ccccc4)c23)c1O.
What is the InChIKey of 2-methoxy-6-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is SHKPGEAUAUBOMX-AUEPDCJTSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-26-16-9-5-8-14(18(16)25)10-23-24-19-17-15(13-6-3-2-4-7-13)11-27-20(17)22-12-21-19/h2-12,25H,1H3,(H,21,22,24)/b23-10+.
What are the key properties of 2-methoxy-6-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
2-methoxy-6-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 376.44 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135476824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).