2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid

C13H14N4O2 — CID 136995559

IUPAC2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid
SMILESO=C(O)Cc1c(-c2ccccn2)nc2n1CCCN2
InChIInChI=1S/C13H14N4O2/c18-11(19)8-10-12(9-4-1-2-5-14-9)16-13-15-6-3-7-17(10)13/h1-2,4-5H,3,6-8H2,(H,15,16)(H,18,19)
InChIKeyLLHDZNLKFUABNX-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.39
Rot. Bonds3

About 2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid

2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid (PubChem CID 136995559) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid
PubChem CID136995559
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid
SMILESO=C(O)Cc1c(-c2ccccn2)nc2n1CCCN2
InChIInChI=1S/C13H14N4O2/c18-11(19)8-10-12(9-4-1-2-5-14-9)16-13-15-6-3-7-17(10)13/h1-2,4-5H,3,6-8H2,(H,15,16)(H,18,19)
InChIKeyLLHDZNLKFUABNX-UHFFFAOYSA-N
XLogP1.39
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid?
The IUPAC name of 2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid (CID 136995559) is 2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid is O=C(O)Cc1c(-c2ccccn2)nc2n1CCCN2.
What is the InChIKey of 2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid?
The InChIKey is LLHDZNLKFUABNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c18-11(19)8-10-12(9-4-1-2-5-14-9)16-13-15-6-3-7-17(10)13/h1-2,4-5H,3,6-8H2,(H,15,16)(H,18,19).
What are the key properties of 2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid?
2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid has a molecular weight of 258.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid is sourced from PubChem (CID 136995559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).