methyl 5-methyl-4-morpholin-4-yl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

C18H24N4O4S — CID 2436023

IUPACmethyl 5-methyl-4-morpholin-4-yl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCOCC3)c2c1C
InChIInChI=1S/C18H24N4O4S/c1-12-14-16(22-5-9-26-10-6-22)19-13(11-21-3-7-25-8-4-21)20-17(14)27-15(12)18(23)24-2/h3-11H2,1-2H3
InChIKeyVGSKKASVAQSPEN-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.46
Rot. Bonds4

About methyl 5-methyl-4-morpholin-4-yl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

methyl 5-methyl-4-morpholin-4-yl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 2436023) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is methyl 5-methyl-4-morpholin-4-yl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-4-morpholin-4-yl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID2436023
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Namemethyl 5-methyl-4-morpholin-4-yl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCOCC3)c2c1C
InChIInChI=1S/C18H24N4O4S/c1-12-14-16(22-5-9-26-10-6-22)19-13(11-21-3-7-25-8-4-21)20-17(14)27-15(12)18(23)24-2/h3-11H2,1-2H3
InChIKeyVGSKKASVAQSPEN-UHFFFAOYSA-N
XLogP1.46
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-4-morpholin-4-yl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 5-methyl-4-morpholin-4-yl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate (CID 2436023) is methyl 5-methyl-4-morpholin-4-yl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 5-methyl-4-morpholin-4-yl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 5-methyl-4-morpholin-4-yl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCOCC3)c2c1C.
What is the InChIKey of methyl 5-methyl-4-morpholin-4-yl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is VGSKKASVAQSPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-12-14-16(22-5-9-26-10-6-22)19-13(11-21-3-7-25-8-4-21)20-17(14)27-15(12)18(23)24-2/h3-11H2,1-2H3.
What are the key properties of methyl 5-methyl-4-morpholin-4-yl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate?
methyl 5-methyl-4-morpholin-4-yl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 392.48 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-4-morpholin-4-yl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 2436023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).