4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde

C19H12N2O2S — CID 4737873

IUPAC4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde
SMILESO=Cc1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C19H12N2O2S/c22-10-13-6-8-15(9-7-13)23-18-17-16(14-4-2-1-3-5-14)11-24-19(17)21-12-20-18/h1-12H
InChIKeyBIWVWXYGBWLGAT-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.96
Rot. Bonds4

About 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde

4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde (PubChem CID 4737873) has the molecular formula C19H12N2O2S and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde.

Molecular Properties

Compound Name4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde
PubChem CID4737873
Molecular FormulaC19H12N2O2S
Molecular Weight332.38 g/mol
Exact Mass332.06
IUPAC Name4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde
SMILESO=Cc1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C19H12N2O2S/c22-10-13-6-8-15(9-7-13)23-18-17-16(14-4-2-1-3-5-14)11-24-19(17)21-12-20-18/h1-12H
InChIKeyBIWVWXYGBWLGAT-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

4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzaldehyde
CID 4737881
4-(4-benzylphenoxy)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine
CID 5220220
5-(4-methylphenyl)-4-(4-phenylmethoxyphenoxy)thieno[2,3-d]pyrimidine
CID 2415818
4-(3-nitrophenoxy)-5-phenylthieno[2,3-d]pyrimidine
CID 17429787
2-[4-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1,3,4-oxadiazole
CID 9112699
methyl 4-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzoate
CID 2334773
4-iodo-5-phenylthieno[2,3-d]pyrimidine
CID 147258357
4-methoxy-3-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde
CID 9311006
4-methyl-5-phenylthieno[2,3-d]pyrimidine
CID 118145924
3-[4-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-5-methyl-1,2,4-oxadiazole
CID 18197473
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 10522535
5-(4-chlorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine
CID 1228156

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde?
The IUPAC name of 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde (CID 4737873) is 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde.
What is the SMILES notation for 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde?
The canonical SMILES for 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde is O=Cc1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1.
What is the InChIKey of 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde?
The InChIKey is BIWVWXYGBWLGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O2S/c22-10-13-6-8-15(9-7-13)23-18-17-16(14-4-2-1-3-5-14)11-24-19(17)21-12-20-18/h1-12H.
What are the key properties of 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde?
4-(5-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-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde is sourced from PubChem (CID 4737873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).