methyl 3-amino-6-(2,4-dimethoxypyrimidin-5-yl)thieno[3,2-b]pyridine-2-carboxylate

C15H14N4O4S — CID 50908354

IUPACmethyl 3-amino-6-(2,4-dimethoxypyrimidin-5-yl)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(-c3cnc(OC)nc3OC)cnc2c1N
InChIInChI=1S/C15H14N4O4S/c1-21-13-8(6-18-15(19-13)23-3)7-4-9-11(17-5-7)10(16)12(24-9)14(20)22-2/h4-6H,16H2,1-3H3
InChIKeyOHXDGISPFZVDHE-UHFFFAOYSA-N
MW346.37 g/mol
LogP2.14
Rot. Bonds4

About methyl 3-amino-6-(2,4-dimethoxypyrimidin-5-yl)thieno[3,2-b]pyridine-2-carboxylate

methyl 3-amino-6-(2,4-dimethoxypyrimidin-5-yl)thieno[3,2-b]pyridine-2-carboxylate (PubChem CID 50908354) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is methyl 3-amino-6-(2,4-dimethoxypyrimidin-5-yl)thieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(2,4-dimethoxypyrimidin-5-yl)thieno[3,2-b]pyridine-2-carboxylate
PubChem CID50908354
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC Namemethyl 3-amino-6-(2,4-dimethoxypyrimidin-5-yl)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(-c3cnc(OC)nc3OC)cnc2c1N
InChIInChI=1S/C15H14N4O4S/c1-21-13-8(6-18-15(19-13)23-3)7-4-9-11(17-5-7)10(16)12(24-9)14(20)22-2/h4-6H,16H2,1-3H3
InChIKeyOHXDGISPFZVDHE-UHFFFAOYSA-N
XLogP2.14
TPSA109.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(2,4-dimethoxypyrimidin-5-yl)thieno[3,2-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(2,4-dimethoxypyrimidin-5-yl)thieno[3,2-b]pyridine-2-carboxylate (CID 50908354) is methyl 3-amino-6-(2,4-dimethoxypyrimidin-5-yl)thieno[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(2,4-dimethoxypyrimidin-5-yl)thieno[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(2,4-dimethoxypyrimidin-5-yl)thieno[3,2-b]pyridine-2-carboxylate is COC(=O)c1sc2cc(-c3cnc(OC)nc3OC)cnc2c1N.
What is the InChIKey of methyl 3-amino-6-(2,4-dimethoxypyrimidin-5-yl)thieno[3,2-b]pyridine-2-carboxylate?
The InChIKey is OHXDGISPFZVDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4S/c1-21-13-8(6-18-15(19-13)23-3)7-4-9-11(17-5-7)10(16)12(24-9)14(20)22-2/h4-6H,16H2,1-3H3.
What are the key properties of methyl 3-amino-6-(2,4-dimethoxypyrimidin-5-yl)thieno[3,2-b]pyridine-2-carboxylate?
methyl 3-amino-6-(2,4-dimethoxypyrimidin-5-yl)thieno[3,2-b]pyridine-2-carboxylate has a molecular weight of 346.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(2,4-dimethoxypyrimidin-5-yl)thieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 50908354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).