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

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Related Compounds

2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenyl]acetic acid
CID 64929348
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983
3-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde
CID 708792
2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]acetic acid
CID 107461745
2-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]acetic acid
CID 82866163
2-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde
CID 708797
2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid
CID 86776513
2-[(2-nitrophenoxy)methyl]imidazo[1,2-a]pyrimidine
CID 703407
2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053
2-[4-(1,2-oxazol-3-ylmethoxy)phenyl]acetic acid
CID 117094930
2-[[4-(carboxymethyl)phenoxy]methyl]benzoic acid;methane
CID 21269133
1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propan-2-ol
CID 115495863

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).