ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate

C19H26N4O5S — CID 3240169

IUPACethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(CC(=O)OC)nc(NCCN3CCOCC3)c2c1C
InChIInChI=1S/C19H26N4O5S/c1-4-28-19(25)16-12(2)15-17(20-5-6-23-7-9-27-10-8-23)21-13(11-14(24)26-3)22-18(15)29-16/h4-11H2,1-3H3,(H,20,21,22)
InChIKeyHIGYJHHQUFMJPB-UHFFFAOYSA-N
MW422.51 g/mol
LogP1.64
Rot. Bonds8

About ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate

ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 3240169) has the molecular formula C19H26N4O5S and a molecular weight of 422.51 g/mol. Its IUPAC name is ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID3240169
Molecular FormulaC19H26N4O5S
Molecular Weight422.51 g/mol
Exact Mass422.16
IUPAC Nameethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(CC(=O)OC)nc(NCCN3CCOCC3)c2c1C
InChIInChI=1S/C19H26N4O5S/c1-4-28-19(25)16-12(2)15-17(20-5-6-23-7-9-27-10-8-23)21-13(11-14(24)26-3)22-18(15)29-16/h4-11H2,1-3H3,(H,20,21,22)
InChIKeyHIGYJHHQUFMJPB-UHFFFAOYSA-N
XLogP1.64
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate (CID 3240169) is ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCCN3CCOCC3)c2c1C.
What is the InChIKey of ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is HIGYJHHQUFMJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5S/c1-4-28-19(25)16-12(2)15-17(20-5-6-23-7-9-27-10-8-23)21-13(11-14(24)26-3)22-18(15)29-16/h4-11H2,1-3H3,(H,20,21,22).
What are the key properties of ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 422.51 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 3240169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).