6-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one

C20H21N3O3S2 — CID 1123745

IUPAC6-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(-c3ccccc3)c(SCC(=O)N3CCOCC3)nc2s1
InChIInChI=1S/C20H21N3O3S2/c1-2-15-12-16-18(28-15)21-20(23(19(16)25)14-6-4-3-5-7-14)27-13-17(24)22-8-10-26-11-9-22/h3-7,12H,2,8-11,13H2,1H3
InChIKeyBSZFFAVAVNQDDP-UHFFFAOYSA-N
MW415.54 g/mol
LogP2.96
Rot. Bonds5

About 6-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one

6-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 1123745) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 6-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID1123745
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC Name6-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(-c3ccccc3)c(SCC(=O)N3CCOCC3)nc2s1
InChIInChI=1S/C20H21N3O3S2/c1-2-15-12-16-18(28-15)21-20(23(19(16)25)14-6-4-3-5-7-14)27-13-17(24)22-8-10-26-11-9-22/h3-7,12H,2,8-11,13H2,1H3
InChIKeyBSZFFAVAVNQDDP-UHFFFAOYSA-N
XLogP2.96
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

6-ethyl-2-phenacylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 1049646
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 35476750
6-iodo-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylquinazolin-4-one
CID 1257455
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-ethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35476671
N-(3,5-dichlorophenyl)-2-(6-ethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35476630
2-(6-ethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135437697
N-(3-chlorophenyl)-2-(6-ethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 989671
2-(6-ethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136717869
2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 35477134
3-(3-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7207870
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 1080941
3-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 2605126

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one (CID 1123745) is 6-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(-c3ccccc3)c(SCC(=O)N3CCOCC3)nc2s1.
What is the InChIKey of 6-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is BSZFFAVAVNQDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c1-2-15-12-16-18(28-15)21-20(23(19(16)25)14-6-4-3-5-7-14)27-13-17(24)22-8-10-26-11-9-22/h3-7,12H,2,8-11,13H2,1H3.
What are the key properties of 6-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
6-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 415.54 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 1123745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).