2-hydroxy-5-methoxycarbonylimidazo[1,2-a]pyrimidine-7-carboxylic acid

C9H7N3O5 — CID 70317578

IUPAC2-hydroxy-5-methoxycarbonylimidazo[1,2-a]pyrimidine-7-carboxylic acid
SMILESCOC(=O)c1cc(C(=O)O)nc2nc(O)cn12
InChIInChI=1S/C9H7N3O5/c1-17-8(16)5-2-4(7(14)15)10-9-11-6(13)3-12(5)9/h2-3,13H,1H3,(H,14,15)
InChIKeyBWIJQMUPWJBEHW-UHFFFAOYSA-N
MW237.17 g/mol
LogP-0.08
Rot. Bonds2

About 2-hydroxy-5-methoxycarbonylimidazo[1,2-a]pyrimidine-7-carboxylic acid

2-hydroxy-5-methoxycarbonylimidazo[1,2-a]pyrimidine-7-carboxylic acid (PubChem CID 70317578) has the molecular formula C9H7N3O5 and a molecular weight of 237.17 g/mol. Its IUPAC name is 2-hydroxy-5-methoxycarbonylimidazo[1,2-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-5-methoxycarbonylimidazo[1,2-a]pyrimidine-7-carboxylic acid
PubChem CID70317578
Molecular FormulaC9H7N3O5
Molecular Weight237.17 g/mol
Exact Mass237.04
IUPAC Name2-hydroxy-5-methoxycarbonylimidazo[1,2-a]pyrimidine-7-carboxylic acid
SMILESCOC(=O)c1cc(C(=O)O)nc2nc(O)cn12
InChIInChI=1S/C9H7N3O5/c1-17-8(16)5-2-4(7(14)15)10-9-11-6(13)3-12(5)9/h2-3,13H,1H3,(H,14,15)
InChIKeyBWIJQMUPWJBEHW-UHFFFAOYSA-N
XLogP-0.08
TPSA114.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-[[(1R)-2-amino-1-(4-methoxycarbonylphenyl)-2-oxoethyl]carbamoyl]-2-hydroxyimidazo[1,2-a]pyrimidine-5-carboxylic acid
CID 91397983
2-amino-7-methoxycarbonyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 59461318
7-methoxycarbonyl-2-(methylidenecarbamoyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 143344585
7-methoxycarbonyl-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 143346586
methyl 2-(1-hydroxyethenyl)-7-methylpyrrolo[1,2-a]pyrimidine-4-carboxylate
CID 70321625
5-methoxycarbonyl-1-propan-2-ylpyrazole-3-carboxylic acid
CID 117218592
8-bromo-5-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 70244486
5-methoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid
CID 84664482
3-amino-4-[5-(aminomethyl)-2-fluoroanilino]cyclobut-3-ene-1,2-dione;2-hydroxy-7-[(4-methoxycarbonylphenyl)methylcarbamoyl]imidazo[1,2-a]pyrimidine-5-carboxylic acid;hydrochloride
CID 161197956
4-ethoxy-6-methoxycarbonylpyridine-2-carboxylic acid
CID 23292064
8-carbamoyl-4-methoxycarbonylimidazo[1,5-a]pyrimidine-2-carboxylic acid;methyl 4-[(1S)-1-aminoethyl]benzoate
CID 159593605
8-fluoro-2-methoxycarbonylimidazo[1,5-a]pyrimidine-4-carboxylic acid
CID 91517574

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methoxycarbonylimidazo[1,2-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 2-hydroxy-5-methoxycarbonylimidazo[1,2-a]pyrimidine-7-carboxylic acid (CID 70317578) is 2-hydroxy-5-methoxycarbonylimidazo[1,2-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 2-hydroxy-5-methoxycarbonylimidazo[1,2-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 2-hydroxy-5-methoxycarbonylimidazo[1,2-a]pyrimidine-7-carboxylic acid is COC(=O)c1cc(C(=O)O)nc2nc(O)cn12.
What is the InChIKey of 2-hydroxy-5-methoxycarbonylimidazo[1,2-a]pyrimidine-7-carboxylic acid?
The InChIKey is BWIJQMUPWJBEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O5/c1-17-8(16)5-2-4(7(14)15)10-9-11-6(13)3-12(5)9/h2-3,13H,1H3,(H,14,15).
What are the key properties of 2-hydroxy-5-methoxycarbonylimidazo[1,2-a]pyrimidine-7-carboxylic acid?
2-hydroxy-5-methoxycarbonylimidazo[1,2-a]pyrimidine-7-carboxylic acid has a molecular weight of 237.17 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methoxycarbonylimidazo[1,2-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 70317578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).