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

C20H14N2O3S — CID 5043329

IUPACmethyl 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate
SMILESCOC(=O)c1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C20H14N2O3S/c1-24-20(23)14-7-9-15(10-8-14)25-18-17-16(13-5-3-2-4-6-13)11-26-19(17)22-12-21-18/h2-12H,1H3
InChIKeyMWIYCFCUXHYRJN-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.94
Rot. Bonds4

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

methyl 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate (PubChem CID 5043329) has the molecular formula C20H14N2O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is methyl 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate
PubChem CID5043329
Molecular FormulaC20H14N2O3S
Molecular Weight362.41 g/mol
Exact Mass362.07
IUPAC Namemethyl 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate
SMILESCOC(=O)c1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C20H14N2O3S/c1-24-20(23)14-7-9-15(10-8-14)25-18-17-16(13-5-3-2-4-6-13)11-26-19(17)22-12-21-18/h2-12H,1H3
InChIKeyMWIYCFCUXHYRJN-UHFFFAOYSA-N
XLogP4.94
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate?
The IUPAC name of methyl 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate (CID 5043329) is methyl 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate.
What is the SMILES notation for methyl 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate?
The canonical SMILES for methyl 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate is COC(=O)c1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1.
What is the InChIKey of methyl 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate?
The InChIKey is MWIYCFCUXHYRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S/c1-24-20(23)14-7-9-15(10-8-14)25-18-17-16(13-5-3-2-4-6-13)11-26-19(17)22-12-21-18/h2-12H,1H3.
What are the key properties of methyl 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate?
methyl 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate has a molecular weight of 362.41 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate is sourced from PubChem (CID 5043329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).