4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoic acid

C12H16N4O2 — CID 55005733

IUPAC4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)Cc1cn2cccnc2n1
InChIInChI=1S/C12H16N4O2/c1-15(6-2-4-11(17)18)8-10-9-16-7-3-5-13-12(16)14-10/h3,5,7,9H,2,4,6,8H2,1H3,(H,17,18)
InChIKeyYRZYWYVYDGQRCO-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.03
Rot. Bonds6

About 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoic acid

4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoic acid (PubChem CID 55005733) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoic acid
PubChem CID55005733
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)Cc1cn2cccnc2n1
InChIInChI=1S/C12H16N4O2/c1-15(6-2-4-11(17)18)8-10-9-16-7-3-5-13-12(16)14-10/h3,5,7,9H,2,4,6,8H2,1H3,(H,17,18)
InChIKeyYRZYWYVYDGQRCO-UHFFFAOYSA-N
XLogP1.03
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoic acid (CID 55005733) is 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoic acid is CN(CCCC(=O)O)Cc1cn2cccnc2n1.
What is the InChIKey of 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoic acid?
The InChIKey is YRZYWYVYDGQRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-15(6-2-4-11(17)18)8-10-9-16-7-3-5-13-12(16)14-10/h3,5,7,9H,2,4,6,8H2,1H3,(H,17,18).
What are the key properties of 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoic acid?
4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoic acid has a molecular weight of 248.29 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoic acid is sourced from PubChem (CID 55005733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).