4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde

C19H12N2O2S — CID 706024

IUPAC4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde
SMILESO=Cc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C19H12N2O2S/c22-11-13-6-8-15(9-7-13)23-18-16-10-17(14-4-2-1-3-5-14)24-19(16)21-12-20-18/h1-12H
InChIKeyBYOFGWKOPRCCDL-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.96
Rot. Bonds4

About 4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde

4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde (PubChem CID 706024) has the molecular formula C19H12N2O2S and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde.

Molecular Properties

Compound Name4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde
PubChem CID706024
Molecular FormulaC19H12N2O2S
Molecular Weight332.38 g/mol
Exact Mass332.06
IUPAC Name4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde
SMILESO=Cc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C19H12N2O2S/c22-11-13-6-8-15(9-7-13)23-18-16-10-17(14-4-2-1-3-5-14)24-19(16)21-12-20-18/h1-12H
InChIKeyBYOFGWKOPRCCDL-UHFFFAOYSA-N
XLogP4.96
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-{8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-yloxy}phenyl)benzamide
CID 1036473
1-[2-(2-Thieno[2,3-d]pyrimidin-4-yloxyethoxy)phenyl]ethanone
CID 2461173
Methyl 4-(thieno[2,3-d]pyrimidin-4-yloxymethyl)benzoate
CID 2469744
4-(4-Methylphenoxy)thieno[2,3-d]pyrimidine
CID 710977
4-methoxy-3-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]benzaldehyde
CID 117780037
4-[4-(Benzylamino)thieno[2,3-d]pyrimidin-6-yl]-3-methoxybenzaldehyde
CID 117803131
4-(4-Anilinothieno[2,3-d]pyrimidin-6-yl)-3-methoxybenzaldehyde
CID 117803681
1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[5-(4-fluoro-phenyl)-thieno[2,3-d]pyrimidin-4-ylsulfanyl]-ethanone
CID 1172322
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]thio}ethanone
CID 1300201
3,4-dimethoxy-N-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]benzamide
CID 1745852
1-(4-Thieno[2,3-d]pyrimidin-4-yloxyphenyl)ethanone
CID 2478817
methyl 4-methoxy-3-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]benzoate
CID 127024861

Frequently Asked Questions

What is the IUPAC name of 4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde?
The IUPAC name of 4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde (CID 706024) is 4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde.
What is the SMILES notation for 4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde?
The canonical SMILES for 4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde is O=Cc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cc1.
What is the InChIKey of 4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde?
The InChIKey is BYOFGWKOPRCCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O2S/c22-11-13-6-8-15(9-7-13)23-18-16-10-17(14-4-2-1-3-5-14)24-19(16)21-12-20-18/h1-12H.
What are the key properties of 4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde?
4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde has a molecular weight of 332.38 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde is sourced from PubChem (CID 706024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).