3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid

C10H10N2O3S — CID 714409

IUPAC3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCn1cnc2sc(C(=O)O)c(C)c2c1=O
InChIInChI=1S/C10H10N2O3S/c1-3-12-4-11-8-6(9(12)13)5(2)7(16-8)10(14)15/h4H,3H2,1-2H3,(H,14,15)
InChIKeySXQISXMEDDDZKV-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.48
Rot. Bonds2

About 3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid

3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 714409) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID714409
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCn1cnc2sc(C(=O)O)c(C)c2c1=O
InChIInChI=1S/C10H10N2O3S/c1-3-12-4-11-8-6(9(12)13)5(2)7(16-8)10(14)15/h4H,3H2,1-2H3,(H,14,15)
InChIKeySXQISXMEDDDZKV-UHFFFAOYSA-N
XLogP1.48
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 655202
Ethyl 5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 731240
5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 405802
Methyl 3-amino-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 722597
Ethyl 3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxylate
CID 785253
2-(diethylamino)-5-methyl-4-oxo-4H-thieno[2,3-d][1,3]oxazine-6-carboxamide
CID 10636536
3-Methyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]thieno[2,3-d]pyrimidine-2-carboxylic acid
CID 2400438
4-Methyl-2-oxo-6-thia-1,8-diazatricyclo(7.5.0.0,3,7)tetradeca-3(7),4,8-triene-5-carboxylic acid
CID 2393539
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)propanoic acid
CID 646263
5-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester
CID 733576
Isopropyl 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 1178160
Ethyl 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 1689084

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid (CID 714409) is 3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid is CCn1cnc2sc(C(=O)O)c(C)c2c1=O.
What is the InChIKey of 3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is SXQISXMEDDDZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-3-12-4-11-8-6(9(12)13)5(2)7(16-8)10(14)15/h4H,3H2,1-2H3,(H,14,15).
What are the key properties of 3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid?
3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 238.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 714409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).