4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-3-(5-methylfuran-2-yl)morpholine

C17H19N3O2S — CID 133403948

IUPAC4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-3-(5-methylfuran-2-yl)morpholine
SMILESCCc1nc(N2CCOCC2c2ccc(C)o2)c2ccsc2n1
InChIInChI=1S/C17H19N3O2S/c1-3-15-18-16(12-6-9-23-17(12)19-15)20-7-8-21-10-13(20)14-5-4-11(2)22-14/h4-6,9,13H,3,7-8,10H2,1-2H3
InChIKeyXBDLWRLCIAILSL-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.73
Rot. Bonds3

About 4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-3-(5-methylfuran-2-yl)morpholine

4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-3-(5-methylfuran-2-yl)morpholine (PubChem CID 133403948) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-3-(5-methylfuran-2-yl)morpholine.

Molecular Properties

Compound Name4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-3-(5-methylfuran-2-yl)morpholine
PubChem CID133403948
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-3-(5-methylfuran-2-yl)morpholine
SMILESCCc1nc(N2CCOCC2c2ccc(C)o2)c2ccsc2n1
InChIInChI=1S/C17H19N3O2S/c1-3-15-18-16(12-6-9-23-17(12)19-15)20-7-8-21-10-13(20)14-5-4-11(2)22-14/h4-6,9,13H,3,7-8,10H2,1-2H3
InChIKeyXBDLWRLCIAILSL-UHFFFAOYSA-N
XLogP3.73
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-3-(5-methylfuran-2-yl)morpholine?
The IUPAC name of 4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-3-(5-methylfuran-2-yl)morpholine (CID 133403948) is 4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-3-(5-methylfuran-2-yl)morpholine.
What is the SMILES notation for 4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-3-(5-methylfuran-2-yl)morpholine?
The canonical SMILES for 4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-3-(5-methylfuran-2-yl)morpholine is CCc1nc(N2CCOCC2c2ccc(C)o2)c2ccsc2n1.
What is the InChIKey of 4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-3-(5-methylfuran-2-yl)morpholine?
The InChIKey is XBDLWRLCIAILSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-3-15-18-16(12-6-9-23-17(12)19-15)20-7-8-21-10-13(20)14-5-4-11(2)22-14/h4-6,9,13H,3,7-8,10H2,1-2H3.
What are the key properties of 4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-3-(5-methylfuran-2-yl)morpholine?
4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-3-(5-methylfuran-2-yl)morpholine has a molecular weight of 329.43 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-3-(5-methylfuran-2-yl)morpholine is sourced from PubChem (CID 133403948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).