ethyl 4-[[(2R)-2-hydroxypropyl]amino]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

C18H26N4O4S — CID 9310923

IUPACethyl 4-[[(2R)-2-hydroxypropyl]amino]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(CN3CCOCC3)nc(NC[C@@H](C)O)c2c1C
InChIInChI=1S/C18H26N4O4S/c1-4-26-18(24)15-12(3)14-16(19-9-11(2)23)20-13(21-17(14)27-15)10-22-5-7-25-8-6-22/h11,23H,4-10H2,1-3H3,(H,19,20,21)/t11-/m1/s1
InChIKeyUGQGPCVSUCAGDH-LLVKDONJSA-N
MW394.50 g/mol
LogP1.80
Rot. Bonds7

About ethyl 4-[[(2R)-2-hydroxypropyl]amino]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

ethyl 4-[[(2R)-2-hydroxypropyl]amino]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 9310923) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is ethyl 4-[[(2R)-2-hydroxypropyl]amino]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(2R)-2-hydroxypropyl]amino]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID9310923
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Nameethyl 4-[[(2R)-2-hydroxypropyl]amino]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(CN3CCOCC3)nc(NC[C@@H](C)O)c2c1C
InChIInChI=1S/C18H26N4O4S/c1-4-26-18(24)15-12(3)14-16(19-9-11(2)23)20-13(21-17(14)27-15)10-22-5-7-25-8-6-22/h11,23H,4-10H2,1-3H3,(H,19,20,21)/t11-/m1/s1
InChIKeyUGQGPCVSUCAGDH-LLVKDONJSA-N
XLogP1.80
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 4-[[(2R)-2-hydroxypropyl]amino]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2R)-2-hydroxypropyl]amino]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-[[(2R)-2-hydroxypropyl]amino]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate (CID 9310923) is ethyl 4-[[(2R)-2-hydroxypropyl]amino]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-[[(2R)-2-hydroxypropyl]amino]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-[[(2R)-2-hydroxypropyl]amino]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2nc(CN3CCOCC3)nc(NC[C@@H](C)O)c2c1C.
What is the InChIKey of ethyl 4-[[(2R)-2-hydroxypropyl]amino]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is UGQGPCVSUCAGDH-LLVKDONJSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-4-26-18(24)15-12(3)14-16(19-9-11(2)23)20-13(21-17(14)27-15)10-22-5-7-25-8-6-22/h11,23H,4-10H2,1-3H3,(H,19,20,21)/t11-/m1/s1.
What are the key properties of ethyl 4-[[(2R)-2-hydroxypropyl]amino]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 394.50 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2R)-2-hydroxypropyl]amino]-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 9310923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).