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

C13H19N3O2 — CID 136995563

IUPAC2-(2-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid
SMILESO=C(O)Cc1c(C2CCCC2)nc2n1CCCN2
InChIInChI=1S/C13H19N3O2/c17-11(18)8-10-12(9-4-1-2-5-9)15-13-14-6-3-7-16(10)13/h9H,1-8H2,(H,14,15)(H,17,18)
InChIKeyIGAFOXIFTHHZJV-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.98
Rot. Bonds3

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

2-(2-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid (PubChem CID 136995563) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid
PubChem CID136995563
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(2-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid
SMILESO=C(O)Cc1c(C2CCCC2)nc2n1CCCN2
InChIInChI=1S/C13H19N3O2/c17-11(18)8-10-12(9-4-1-2-5-9)15-13-14-6-3-7-16(10)13/h9H,1-8H2,(H,14,15)(H,17,18)
InChIKeyIGAFOXIFTHHZJV-UHFFFAOYSA-N
XLogP1.98
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid
CID 136995551
2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid
CID 136995559
2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 136995515
5-ethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7-diene
CID 136955356
2-(1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidin-6-yl)acetic acid
CID 105439315
2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile
CID 136995791
2-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 136995525
2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 136995529
2-(2-cyclopentyl-1,3-thiazol-4-yl)acetic acid
CID 60922034
5-cyclobutyl-2H-triazole-4-carboxylic acid
CID 105433344
2-(1-cyclohexylisoquinolin-5-yl)acetic acid
CID 12832775
2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid
CID 62722916

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid?
The IUPAC name of 2-(2-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid (CID 136995563) is 2-(2-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-(2-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-(2-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid is O=C(O)Cc1c(C2CCCC2)nc2n1CCCN2.
What is the InChIKey of 2-(2-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid?
The InChIKey is IGAFOXIFTHHZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-11(18)8-10-12(9-4-1-2-5-9)15-13-14-6-3-7-16(10)13/h9H,1-8H2,(H,14,15)(H,17,18).
What are the key properties of 2-(2-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid?
2-(2-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid is sourced from PubChem (CID 136995563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).