3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

C15H15N3O3S — CID 136515890

IUPAC3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1nc(C)c(C(=O)Cn2cnc3sc(C)c(C)c3c2=O)o1
InChIInChI=1S/C15H15N3O3S/c1-7-9(3)22-14-12(7)15(20)18(6-16-14)5-11(19)13-8(2)17-10(4)21-13/h6H,5H2,1-4H3
InChIKeyUZKRUKFXTFYNCJ-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.56
Rot. Bonds3

About 3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 136515890) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
PubChem CID136515890
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1nc(C)c(C(=O)Cn2cnc3sc(C)c(C)c3c2=O)o1
InChIInChI=1S/C15H15N3O3S/c1-7-9(3)22-14-12(7)15(20)18(6-16-14)5-11(19)13-8(2)17-10(4)21-13/h6H,5H2,1-4H3
InChIKeyUZKRUKFXTFYNCJ-UHFFFAOYSA-N
XLogP2.56
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

5,6-dimethyl-3-[2-(sulfanylmethyl)prop-2-enyl]thieno[2,3-d]pyrimidin-4-one
CID 103073948
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
2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 39164641
3-(2-cyclopentyl-2-oxoethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 115648591
(3,3-dimethyl-2-oxobutyl) 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 7939646
5,6-dimethyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 6938222
3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 7629930
5,6-dimethyl-3-[2-oxo-2-(4-propylpiperazin-4-ium-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 4613780
5,6-dimethyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 8576725
N-(2-aminoethyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 39161648
butan-2-yl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 47588749
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 8603273

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (CID 136515890) is 3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is Cc1nc(C)c(C(=O)Cn2cnc3sc(C)c(C)c3c2=O)o1.
What is the InChIKey of 3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is UZKRUKFXTFYNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-7-9(3)22-14-12(7)15(20)18(6-16-14)5-11(19)13-8(2)17-10(4)21-13/h6H,5H2,1-4H3.
What are the key properties of 3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 317.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 136515890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).