3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)propanoic acid

C10H11N3O2 — CID 83832766

IUPAC3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)propanoic acid
SMILESCc1cn2cc(CCC(=O)O)cnc2n1
InChIInChI=1S/C10H11N3O2/c1-7-5-13-6-8(2-3-9(14)15)4-11-10(13)12-7/h4-6H,2-3H2,1H3,(H,14,15)
InChIKeySQJAASUAYVBTER-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.05
Rot. Bonds3

About 3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)propanoic acid

3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)propanoic acid (PubChem CID 83832766) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)propanoic acid
PubChem CID83832766
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)propanoic acid
SMILESCc1cn2cc(CCC(=O)O)cnc2n1
InChIInChI=1S/C10H11N3O2/c1-7-5-13-6-8(2-3-9(14)15)4-11-10(13)12-7/h4-6H,2-3H2,1H3,(H,14,15)
InChIKeySQJAASUAYVBTER-UHFFFAOYSA-N
XLogP1.05
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)propanoic acid?
The IUPAC name of 3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)propanoic acid (CID 83832766) is 3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)propanoic acid.
What is the SMILES notation for 3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)propanoic acid?
The canonical SMILES for 3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)propanoic acid is Cc1cn2cc(CCC(=O)O)cnc2n1.
What is the InChIKey of 3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)propanoic acid?
The InChIKey is SQJAASUAYVBTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7-5-13-6-8(2-3-9(14)15)4-11-10(13)12-7/h4-6H,2-3H2,1H3,(H,14,15).
What are the key properties of 3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)propanoic acid?
3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)propanoic acid has a molecular weight of 205.22 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)propanoic acid is sourced from PubChem (CID 83832766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).