3-aminoimidazo[1,2-a]pyrimidine-2-carboxylic acid

C7H6N4O2 — CID 83774314

IUPAC3-aminoimidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESNc1c(C(=O)O)nc2ncccn12
InChIInChI=1S/C7H6N4O2/c8-5-4(6(12)13)10-7-9-2-1-3-11(5)7/h1-3H,8H2,(H,12,13)
InChIKeySIWVAOKLMCLALF-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.01
Rot. Bonds1

About 3-aminoimidazo[1,2-a]pyrimidine-2-carboxylic acid

3-aminoimidazo[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 83774314) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 3-aminoimidazo[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name3-aminoimidazo[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID83774314
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name3-aminoimidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESNc1c(C(=O)O)nc2ncccn12
InChIInChI=1S/C7H6N4O2/c8-5-4(6(12)13)10-7-9-2-1-3-11(5)7/h1-3H,8H2,(H,12,13)
InChIKeySIWVAOKLMCLALF-UHFFFAOYSA-N
XLogP0.01
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-aminoimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 3-aminoimidazo[1,2-a]pyrimidine-2-carboxylic acid (CID 83774314) is 3-aminoimidazo[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 3-aminoimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 3-aminoimidazo[1,2-a]pyrimidine-2-carboxylic acid is Nc1c(C(=O)O)nc2ncccn12.
What is the InChIKey of 3-aminoimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is SIWVAOKLMCLALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c8-5-4(6(12)13)10-7-9-2-1-3-11(5)7/h1-3H,8H2,(H,12,13).
What are the key properties of 3-aminoimidazo[1,2-a]pyrimidine-2-carboxylic acid?
3-aminoimidazo[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 178.15 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoimidazo[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 83774314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).