1-[3-(morpholin-4-ylmethyl)-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl]ethanone

C19H19N3O3S — CID 2560024

IUPAC1-[3-(morpholin-4-ylmethyl)-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ncnc3sccc23)c(CN2CCOCC2)c1
InChIInChI=1S/C19H19N3O3S/c1-13(23)14-2-3-17(15(10-14)11-22-5-7-24-8-6-22)25-18-16-4-9-26-19(16)21-12-20-18/h2-4,9-10,12H,5-8,11H2,1H3
InChIKeyUHCQGHHKCJGMBA-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.52
Rot. Bonds5

About 1-[3-(morpholin-4-ylmethyl)-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl]ethanone

1-[3-(morpholin-4-ylmethyl)-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl]ethanone (PubChem CID 2560024) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-[3-(morpholin-4-ylmethyl)-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(morpholin-4-ylmethyl)-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl]ethanone
PubChem CID2560024
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name1-[3-(morpholin-4-ylmethyl)-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ncnc3sccc23)c(CN2CCOCC2)c1
InChIInChI=1S/C19H19N3O3S/c1-13(23)14-2-3-17(15(10-14)11-22-5-7-24-8-6-22)25-18-16-4-9-26-19(16)21-12-20-18/h2-4,9-10,12H,5-8,11H2,1H3
InChIKeyUHCQGHHKCJGMBA-UHFFFAOYSA-N
XLogP3.52
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(morpholin-4-ylmethyl)-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl]ethanone?
The IUPAC name of 1-[3-(morpholin-4-ylmethyl)-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl]ethanone (CID 2560024) is 1-[3-(morpholin-4-ylmethyl)-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl]ethanone.
What is the SMILES notation for 1-[3-(morpholin-4-ylmethyl)-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl]ethanone?
The canonical SMILES for 1-[3-(morpholin-4-ylmethyl)-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl]ethanone is CC(=O)c1ccc(Oc2ncnc3sccc23)c(CN2CCOCC2)c1.
What is the InChIKey of 1-[3-(morpholin-4-ylmethyl)-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl]ethanone?
The InChIKey is UHCQGHHKCJGMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-13(23)14-2-3-17(15(10-14)11-22-5-7-24-8-6-22)25-18-16-4-9-26-19(16)21-12-20-18/h2-4,9-10,12H,5-8,11H2,1H3.
What are the key properties of 1-[3-(morpholin-4-ylmethyl)-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl]ethanone?
1-[3-(morpholin-4-ylmethyl)-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl]ethanone has a molecular weight of 369.45 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(morpholin-4-ylmethyl)-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl]ethanone is sourced from PubChem (CID 2560024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).