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

C20H16N4O2S — CID 3640732

IUPAC2-methoxy-4-[[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(C=NNc2ncnc3scc(-c4ccccc4)c23)ccc1O
InChIInChI=1S/C20H16N4O2S/c1-26-17-9-13(7-8-16(17)25)10-23-24-19-18-15(14-5-3-2-4-6-14)11-27-20(18)22-12-21-19/h2-12,25H,1H3,(H,21,22,24)
InChIKeyXYWVSFDRCAXLBU-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.52
Rot. Bonds5

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

2-methoxy-4-[[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 3640732) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-methoxy-4-[[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID3640732
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name2-methoxy-4-[[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(C=NNc2ncnc3scc(-c4ccccc4)c23)ccc1O
InChIInChI=1S/C20H16N4O2S/c1-26-17-9-13(7-8-16(17)25)10-23-24-19-18-15(14-5-3-2-4-6-14)11-27-20(18)22-12-21-19/h2-12,25H,1H3,(H,21,22,24)
InChIKeyXYWVSFDRCAXLBU-UHFFFAOYSA-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_B(215)', '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-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 10522535
4-bromo-2-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135651752
2-methoxy-4-[(Z)-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylhydrazinylidene)methyl]phenol
CID 135938380
N-(3,4-dimethoxyphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7636536
5-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 26470392
N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 135651634
N-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 5166577
2-[4-[(Z)-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]phenoxy]acetonitrile
CID 9245447
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 135651619
2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3709889
4-[(Z)-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 136919083
N-[(2-chloro-8-methylquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 3332290

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-4-[[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol (CID 3640732) is 2-methoxy-4-[[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol is COc1cc(C=NNc2ncnc3scc(-c4ccccc4)c23)ccc1O.
What is the InChIKey of 2-methoxy-4-[[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is XYWVSFDRCAXLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-26-17-9-13(7-8-16(17)25)10-23-24-19-18-15(14-5-3-2-4-6-14)11-27-20(18)22-12-21-19/h2-12,25H,1H3,(H,21,22,24).
What are the key properties of 2-methoxy-4-[[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
2-methoxy-4-[[(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-4-[[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 3640732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).