6-acetyl-5-methyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one

C15H19N3O3S — CID 19244973

IUPAC6-acetyl-5-methyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCC(=O)c1sc2ncn(CCN3CCOCC3)c(=O)c2c1C
InChIInChI=1S/C15H19N3O3S/c1-10-12-14(22-13(10)11(2)19)16-9-18(15(12)20)4-3-17-5-7-21-8-6-17/h9H,3-8H2,1-2H3
InChIKeyJOKSKPOCSDUZPG-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.30
Rot. Bonds4

About 6-acetyl-5-methyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one

6-acetyl-5-methyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 19244973) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 6-acetyl-5-methyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-acetyl-5-methyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID19244973
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name6-acetyl-5-methyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCC(=O)c1sc2ncn(CCN3CCOCC3)c(=O)c2c1C
InChIInChI=1S/C15H19N3O3S/c1-10-12-14(22-13(10)11(2)19)16-9-18(15(12)20)4-3-17-5-7-21-8-6-17/h9H,3-8H2,1-2H3
InChIKeyJOKSKPOCSDUZPG-UHFFFAOYSA-N
XLogP1.30
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-(3-morpholin-4-ylpropyl)-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide
CID 4640999
6-acetyl-3-(2-bromoethyl)-5-methylthieno[2,3-d]pyrimidin-4-one
CID 19244986
3-(2-ethoxyethyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 4075714
6-acetyl-3-(3-hydroxypropyl)-5-methylthieno[2,3-d]pyrimidin-4-one
CID 19245001
6-acetyl-3-hexyl-5-methylthieno[2,3-d]pyrimidin-4-one
CID 19244979
3-benzyl-5-methyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 110496515
6-acetyl-3-[3-(dimethylamino)propyl]-5-methylthieno[2,3-d]pyrimidin-4-one
CID 19244967
N,N,5-trimethyl-4-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 22464669
3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-N,N,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 22464783
5-methyl-6-(4-methylpiperidine-1-carbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one
CID 22330657
3-[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 1093547
N-butan-2-yl-3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23941131

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-5-methyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-acetyl-5-methyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one (CID 19244973) is 6-acetyl-5-methyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-acetyl-5-methyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-acetyl-5-methyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one is CC(=O)c1sc2ncn(CCN3CCOCC3)c(=O)c2c1C.
What is the InChIKey of 6-acetyl-5-methyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is JOKSKPOCSDUZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-10-12-14(22-13(10)11(2)19)16-9-18(15(12)20)4-3-17-5-7-21-8-6-17/h9H,3-8H2,1-2H3.
What are the key properties of 6-acetyl-5-methyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one?
6-acetyl-5-methyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 321.40 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-5-methyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 19244973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).