2-ethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidine-5-carboxylic acid

C12H14N2O3S — CID 82058874

IUPAC2-ethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidine-5-carboxylic acid
SMILESCCc1nc2scc(C(=O)O)c2c(=O)n1C(C)C
InChIInChI=1S/C12H14N2O3S/c1-4-8-13-10-9(7(5-18-10)12(16)17)11(15)14(8)6(2)3/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyRHRHBILAJIMKOA-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.30
Rot. Bonds3

About 2-ethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidine-5-carboxylic acid

2-ethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidine-5-carboxylic acid (PubChem CID 82058874) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-ethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidine-5-carboxylic acid
PubChem CID82058874
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-ethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidine-5-carboxylic acid
SMILESCCc1nc2scc(C(=O)O)c2c(=O)n1C(C)C
InChIInChI=1S/C12H14N2O3S/c1-4-8-13-10-9(7(5-18-10)12(16)17)11(15)14(8)6(2)3/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyRHRHBILAJIMKOA-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(carboxymethyl)-4-oxo-2-propylthieno[2,3-d]pyrimidine-5-carboxylic acid
CID 82058888
3-butyl-4-oxo-2-propylthieno[2,3-d]pyrimidine-5-carboxylic acid
CID 82058891
4-oxo-3-prop-2-enyl-2-propylthieno[2,3-d]pyrimidine-5-carboxylic acid
CID 82058889
3-(2-carboxyethyl)-2-methyl-4-oxothieno[2,3-d]pyrimidine-5-carboxylic acid
CID 82058839
3-[(4-bromophenyl)methyl]-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidine-5-carboxylic acid
CID 110311837
3-methyl-2-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidine-5-carboxylic acid
CID 82058901
2-ethoxycarbonyl-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxylic acid
CID 59652388
2-methylsulfonyl-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxylic acid
CID 82316490
3-(2-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid
CID 28900124
4-[2-ethyl-5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid
CID 28896636
4-[2-ethyl-5-(4-ethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid
CID 28896683
2-ethyl-3,7-di(propan-2-yl)quinazolin-4-one
CID 176746594

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-ethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidine-5-carboxylic acid (CID 82058874) is 2-ethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-ethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidine-5-carboxylic acid is CCc1nc2scc(C(=O)O)c2c(=O)n1C(C)C.
What is the InChIKey of 2-ethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidine-5-carboxylic acid?
The InChIKey is RHRHBILAJIMKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-4-8-13-10-9(7(5-18-10)12(16)17)11(15)14(8)6(2)3/h5-6H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-ethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidine-5-carboxylic acid?
2-ethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidine-5-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82058874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).