3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)propanoic acid

C11H13N3O2 — CID 83837004

IUPAC3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)propanoic acid
SMILESCc1cc(C)n2c(CCC(=O)O)cnc2n1
InChIInChI=1S/C11H13N3O2/c1-7-5-8(2)14-9(3-4-10(15)16)6-12-11(14)13-7/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyURFCOTFRVQOYLE-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.36
Rot. Bonds3

About 3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)propanoic acid

3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)propanoic acid (PubChem CID 83837004) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)propanoic acid
PubChem CID83837004
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)propanoic acid
SMILESCc1cc(C)n2c(CCC(=O)O)cnc2n1
InChIInChI=1S/C11H13N3O2/c1-7-5-8(2)14-9(3-4-10(15)16)6-12-11(14)13-7/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyURFCOTFRVQOYLE-UHFFFAOYSA-N
XLogP1.36
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Imidazo(1,2-a)pyrimidine-2-propanoic acid
CID 42647350
3-{Imidazo[1,2-A]pyridin-3-YL}propanoic acid
CID 10511867
3-Imidazo[1,2-a]pyridin-2-ylpropanoic acid
CID 28063581
3-Imidazo[1,2-a]pyridin-2-ylpropanoic acid hydrate
CID 53398835
3-{Imidazo[1,2-a]pyridin-3-yl}propanoic acid hydrochloride
CID 165589780
2-[({5,7-Dimethylimidazo[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]propanoic acid
CID 3318110
Methyl 3-imidazo[1,2-a]pyridin-2-ylpropanoate
CID 755885
2-Fluoro-3-imidazo[1,2-a]pyridin-2-ylpropanoic acid
CID 81357544
3-(6-Fluoroimidazo[1,2-a]pyridin-2-yl)propanoic acid
CID 82063176
3-(8-Fluoroimidazo[1,2-a]pyridin-2-yl)propanoic acid
CID 82529117
3-(8-Fluoroimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 82529333
3-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 82530345

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)propanoic acid?
The IUPAC name of 3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)propanoic acid (CID 83837004) is 3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)propanoic acid.
What is the SMILES notation for 3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)propanoic acid?
The canonical SMILES for 3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)propanoic acid is Cc1cc(C)n2c(CCC(=O)O)cnc2n1.
What is the InChIKey of 3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)propanoic acid?
The InChIKey is URFCOTFRVQOYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7-5-8(2)14-9(3-4-10(15)16)6-12-11(14)13-7/h5-6H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)propanoic acid?
3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)propanoic acid has a molecular weight of 219.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)propanoic acid is sourced from PubChem (CID 83837004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).