2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoic acid

C12H14N2O3S — CID 82146687

IUPAC2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoic acid
SMILESCCc1cc2c(=O)n(C(C)(C)C(=O)O)cnc2s1
InChIInChI=1S/C12H14N2O3S/c1-4-7-5-8-9(18-7)13-6-14(10(8)15)12(2,3)11(16)17/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeySMQWNMSMBPKPNH-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.84
Rot. Bonds3

About 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoic acid

2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoic acid (PubChem CID 82146687) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoic acid
PubChem CID82146687
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoic acid
SMILESCCc1cc2c(=O)n(C(C)(C)C(=O)O)cnc2s1
InChIInChI=1S/C12H14N2O3S/c1-4-7-5-8-9(18-7)13-6-14(10(8)15)12(2,3)11(16)17/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeySMQWNMSMBPKPNH-UHFFFAOYSA-N
XLogP1.84
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 35380437
6-ethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)thieno[2,3-d]pyrimidin-4-one
CID 86792550
3-[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl-methylamino]propanoic acid
CID 82032549
6-ethyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 9145858
N-benzyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 733717
3-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-phenylpropanamide
CID 51303590
propan-2-yl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)butanoate
CID 4151061
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122061014
6-ethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 18203092
N-(2-bicyclo[1.1.1]pentanyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 164798854
3-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 17425485
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide
CID 17451363

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoic acid (CID 82146687) is 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoic acid is CCc1cc2c(=O)n(C(C)(C)C(=O)O)cnc2s1.
What is the InChIKey of 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoic acid?
The InChIKey is SMQWNMSMBPKPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-4-7-5-8-9(18-7)13-6-14(10(8)15)12(2,3)11(16)17/h5-6H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoic acid?
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoic acid has a molecular weight of 266.32 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 82146687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).