6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

C19H21N3O3S2 — CID 4176470

IUPAC6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCC1Cc2nc(SCC(=O)N3CCOCC3)n(-c3ccccc3)c(=O)c2S1
InChIInChI=1S/C19H21N3O3S2/c1-13-11-15-17(27-13)18(24)22(14-5-3-2-4-6-14)19(20-15)26-12-16(23)21-7-9-25-10-8-21/h2-6,13H,7-12H2,1H3
InChIKeyBAEHYNJHKQIOBV-UHFFFAOYSA-N
MW403.53 g/mol
LogP2.22
Rot. Bonds4

About 6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 4176470) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID4176470
Molecular FormulaC19H21N3O3S2
Molecular Weight403.53 g/mol
Exact Mass403.10
IUPAC Name6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCC1Cc2nc(SCC(=O)N3CCOCC3)n(-c3ccccc3)c(=O)c2S1
InChIInChI=1S/C19H21N3O3S2/c1-13-11-15-17(27-13)18(24)22(14-5-3-2-4-6-14)19(20-15)26-12-16(23)21-7-9-25-10-8-21/h2-6,13H,7-12H2,1H3
InChIKeyBAEHYNJHKQIOBV-UHFFFAOYSA-N
XLogP2.22
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

BC11-38
CID 2052828
2-Butylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2155145
2-Butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 3403301
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 135464466
2-(methylthio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 756732
3-(4-Chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2052870
2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2462014
2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 3236056
2-((3,6-dimethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide
CID 3239552
3,6-dimethyl-2-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 4151798
2-[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)-6-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 5020464
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)-6-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 5058057

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 4176470) is 6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is CC1Cc2nc(SCC(=O)N3CCOCC3)n(-c3ccccc3)c(=O)c2S1.
What is the InChIKey of 6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is BAEHYNJHKQIOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-13-11-15-17(27-13)18(24)22(14-5-3-2-4-6-14)19(20-15)26-12-16(23)21-7-9-25-10-8-21/h2-6,13H,7-12H2,1H3.
What are the key properties of 6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 403.53 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 4176470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).