methyl 2-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetate

C15H12N2O3S — CID 24561411

IUPACmethyl 2-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetate
SMILESCOC(=O)Cc1ccc(Oc2ncnc3ccsc23)cc1
InChIInChI=1S/C15H12N2O3S/c1-19-13(18)8-10-2-4-11(5-3-10)20-15-14-12(6-7-21-14)16-9-17-15/h2-7,9H,8H2,1H3
InChIKeyRXPZGWFZJLYRNQ-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.20
Rot. Bonds4

About methyl 2-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetate

methyl 2-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetate (PubChem CID 24561411) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is methyl 2-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetate
PubChem CID24561411
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Namemethyl 2-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetate
SMILESCOC(=O)Cc1ccc(Oc2ncnc3ccsc23)cc1
InChIInChI=1S/C15H12N2O3S/c1-19-13(18)8-10-2-4-11(5-3-10)20-15-14-12(6-7-21-14)16-9-17-15/h2-7,9H,8H2,1H3
InChIKeyRXPZGWFZJLYRNQ-UHFFFAOYSA-N
XLogP3.20
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetate?
The IUPAC name of methyl 2-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetate (CID 24561411) is methyl 2-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetate.
What is the SMILES notation for methyl 2-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetate?
The canonical SMILES for methyl 2-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetate is COC(=O)Cc1ccc(Oc2ncnc3ccsc23)cc1.
What is the InChIKey of methyl 2-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetate?
The InChIKey is RXPZGWFZJLYRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-19-13(18)8-10-2-4-11(5-3-10)20-15-14-12(6-7-21-14)16-9-17-15/h2-7,9H,8H2,1H3.
What are the key properties of methyl 2-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetate?
methyl 2-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetate has a molecular weight of 300.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetate is sourced from PubChem (CID 24561411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).