2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)phenyl]acetic acid

C15H13N3O3 — CID 43310274

IUPAC2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCc2cn3cccnc3n2)cc1
InChIInChI=1S/C15H13N3O3/c19-14(20)8-11-2-4-13(5-3-11)21-10-12-9-18-7-1-6-16-15(18)17-12/h1-7,9H,8,10H2,(H,19,20)
InChIKeyAACNVTYXTYFRTD-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.94
Rot. Bonds5

About 2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)phenyl]acetic acid

2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)phenyl]acetic acid (PubChem CID 43310274) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)phenyl]acetic acid
PubChem CID43310274
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCc2cn3cccnc3n2)cc1
InChIInChI=1S/C15H13N3O3/c19-14(20)8-11-2-4-13(5-3-11)21-10-12-9-18-7-1-6-16-15(18)17-12/h1-7,9H,8,10H2,(H,19,20)
InChIKeyAACNVTYXTYFRTD-UHFFFAOYSA-N
XLogP1.94
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)phenyl]acetic acid?
The IUPAC name of 2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)phenyl]acetic acid (CID 43310274) is 2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)phenyl]acetic acid is O=C(O)Cc1ccc(OCc2cn3cccnc3n2)cc1.
What is the InChIKey of 2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)phenyl]acetic acid?
The InChIKey is AACNVTYXTYFRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-14(20)8-11-2-4-13(5-3-11)21-10-12-9-18-7-1-6-16-15(18)17-12/h1-7,9H,8,10H2,(H,19,20).
What are the key properties of 2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)phenyl]acetic acid?
2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)phenyl]acetic acid has a molecular weight of 283.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)phenyl]acetic acid is sourced from PubChem (CID 43310274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).