5,7-dimethoxy-2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid

C10H11N3O4 — CID 10657498

IUPAC5,7-dimethoxy-2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid
SMILESCOc1cc(OC)n2c(C(=O)O)c(C)nc2n1
InChIInChI=1S/C10H11N3O4/c1-5-8(9(14)15)13-7(17-3)4-6(16-2)12-10(13)11-5/h4H,1-3H3,(H,14,15)
InChIKeyARCRSXXMQSCZKQ-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.75
Rot. Bonds3

About 5,7-dimethoxy-2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid

5,7-dimethoxy-2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 10657498) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is 5,7-dimethoxy-2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5,7-dimethoxy-2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID10657498
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name5,7-dimethoxy-2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid
SMILESCOc1cc(OC)n2c(C(=O)O)c(C)nc2n1
InChIInChI=1S/C10H11N3O4/c1-5-8(9(14)15)13-7(17-3)4-6(16-2)12-10(13)11-5/h4H,1-3H3,(H,14,15)
InChIKeyARCRSXXMQSCZKQ-UHFFFAOYSA-N
XLogP0.75
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5,7-dimethoxy-2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid (CID 10657498) is 5,7-dimethoxy-2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5,7-dimethoxy-2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5,7-dimethoxy-2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid is COc1cc(OC)n2c(C(=O)O)c(C)nc2n1.
What is the InChIKey of 5,7-dimethoxy-2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is ARCRSXXMQSCZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-5-8(9(14)15)13-7(17-3)4-6(16-2)12-10(13)11-5/h4H,1-3H3,(H,14,15).
What are the key properties of 5,7-dimethoxy-2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid?
5,7-dimethoxy-2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 237.22 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 10657498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).