methyl 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylbenzoate

C19H20N2O3S — CID 171784145

IUPACmethyl 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylbenzoate
SMILESCOC(=O)c1ccc(COc2nc(C)nc3sccc23)cc1C(C)C
InChIInChI=1S/C19H20N2O3S/c1-11(2)16-9-13(5-6-14(16)19(22)23-4)10-24-17-15-7-8-25-18(15)21-12(3)20-17/h5-9,11H,10H2,1-4H3
InChIKeyDXYMZXFMAHAXIS-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.49
Rot. Bonds5

About methyl 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylbenzoate

methyl 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylbenzoate (PubChem CID 171784145) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is methyl 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylbenzoate.

Molecular Properties

Compound Namemethyl 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylbenzoate
PubChem CID171784145
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Namemethyl 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylbenzoate
SMILESCOC(=O)c1ccc(COc2nc(C)nc3sccc23)cc1C(C)C
InChIInChI=1S/C19H20N2O3S/c1-11(2)16-9-13(5-6-14(16)19(22)23-4)10-24-17-15-7-8-25-18(15)21-12(3)20-17/h5-9,11H,10H2,1-4H3
InChIKeyDXYMZXFMAHAXIS-UHFFFAOYSA-N
XLogP4.49
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylbenzoate?
The IUPAC name of methyl 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylbenzoate (CID 171784145) is methyl 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylbenzoate.
What is the SMILES notation for methyl 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylbenzoate?
The canonical SMILES for methyl 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylbenzoate is COC(=O)c1ccc(COc2nc(C)nc3sccc23)cc1C(C)C.
What is the InChIKey of methyl 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylbenzoate?
The InChIKey is DXYMZXFMAHAXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-11(2)16-9-13(5-6-14(16)19(22)23-4)10-24-17-15-7-8-25-18(15)21-12(3)20-17/h5-9,11H,10H2,1-4H3.
What are the key properties of methyl 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylbenzoate?
methyl 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylbenzoate has a molecular weight of 356.45 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylbenzoate is sourced from PubChem (CID 171784145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).