2-(4-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidin-5-yl)acetic acid

C11H10N2O3S — CID 135970682

IUPAC2-(4-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidin-5-yl)acetic acid
SMILESCc1nc(-c2cccs2)[nH]c(=O)c1CC(=O)O
InChIInChI=1S/C11H10N2O3S/c1-6-7(5-9(14)15)11(16)13-10(12-6)8-3-2-4-17-8/h2-4H,5H2,1H3,(H,14,15)(H,12,13,16)
InChIKeyOAGZIUOCSVTZEE-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.43
Rot. Bonds3

About 2-(4-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidin-5-yl)acetic acid

2-(4-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidin-5-yl)acetic acid (PubChem CID 135970682) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(4-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidin-5-yl)acetic acid
PubChem CID135970682
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name2-(4-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidin-5-yl)acetic acid
SMILESCc1nc(-c2cccs2)[nH]c(=O)c1CC(=O)O
InChIInChI=1S/C11H10N2O3S/c1-6-7(5-9(14)15)11(16)13-10(12-6)8-3-2-4-17-8/h2-4H,5H2,1H3,(H,14,15)(H,12,13,16)
InChIKeyOAGZIUOCSVTZEE-UHFFFAOYSA-N
XLogP1.43
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3,4-difluorophenyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 135970714
5-hydroxy-N-[(2-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135601735
2-[2-(3-bromo-4-methoxyphenyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 136827159
2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 135960467
(2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetate
CID 166211711
5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylic acid;methyl 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylate
CID 159744997
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 135956418
4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one
CID 137099069
5-hydroxy-N-[(4-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135601762
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide
CID 70774408
ethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate
CID 70858476
4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 62744538

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(4-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidin-5-yl)acetic acid (CID 135970682) is 2-(4-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(4-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(4-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidin-5-yl)acetic acid is Cc1nc(-c2cccs2)[nH]c(=O)c1CC(=O)O.
What is the InChIKey of 2-(4-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidin-5-yl)acetic acid?
The InChIKey is OAGZIUOCSVTZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-6-7(5-9(14)15)11(16)13-10(12-6)8-3-2-4-17-8/h2-4H,5H2,1H3,(H,14,15)(H,12,13,16).
What are the key properties of 2-(4-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidin-5-yl)acetic acid?
2-(4-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidin-5-yl)acetic acid has a molecular weight of 250.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 135970682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).