2-methyl-4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxylic acid

C8H6N2O3S — CID 136597140

IUPAC2-methyl-4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxylic acid
SMILESCc1nc2cc(C(=O)O)sc2c(=O)[nH]1
InChIInChI=1S/C8H6N2O3S/c1-3-9-4-2-5(8(12)13)14-6(4)7(11)10-3/h2H,1H3,(H,12,13)(H,9,10,11)
InChIKeyJOFFIXDALVOFLU-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.99
Rot. Bonds1

About 2-methyl-4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxylic acid

2-methyl-4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 136597140) has the molecular formula C8H6N2O3S and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-methyl-4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID136597140
Molecular FormulaC8H6N2O3S
Molecular Weight210.21 g/mol
Exact Mass210.01
IUPAC Name2-methyl-4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxylic acid
SMILESCc1nc2cc(C(=O)O)sc2c(=O)[nH]1
InChIInChI=1S/C8H6N2O3S/c1-3-9-4-2-5(8(12)13)14-6(4)7(11)10-3/h2H,1H3,(H,12,13)(H,9,10,11)
InChIKeyJOFFIXDALVOFLU-UHFFFAOYSA-N
XLogP0.99
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-2-[2-(trifluoromethyl)-1,3-oxazol-4-yl]-3H-thieno[3,2-d]pyrimidine-6-carboxylic acid
CID 167886535
4-oxo-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidine-6-carboxylic acid
CID 167851852
2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 135588789
1-(6-bromo-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)ethylcarbamic acid
CID 146371586
5-(2,5-dimethyl-1H-imidazol-4-yl)thiophene-2-carboxylic acid
CID 90124228
5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid
CID 135215247
7-fluoro-6-methyl-1-benzothiophene-2-carboxylic acid
CID 121413599
7-chloro-5-methyl-1-benzothiophene-2-carboxylic acid
CID 118444652
2-methylthieno[3,2-b]thiophene-5-carboxylic acid
CID 901435
6-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429593
ethyl 4-oxo-6-phenyl-3H-thieno[3,2-d]pyrimidine-2-carboxylate
CID 135518168
(6-fluoro-2-methyl-4-oxo-3H-quinazolin-7-yl)boronic acid
CID 166092343

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-methyl-4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxylic acid (CID 136597140) is 2-methyl-4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-methyl-4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-methyl-4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxylic acid is Cc1nc2cc(C(=O)O)sc2c(=O)[nH]1.
What is the InChIKey of 2-methyl-4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is JOFFIXDALVOFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S/c1-3-9-4-2-5(8(12)13)14-6(4)7(11)10-3/h2H,1H3,(H,12,13)(H,9,10,11).
What are the key properties of 2-methyl-4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxylic acid?
2-methyl-4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 210.21 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 136597140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).