2-(1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidin-6-yl)acetic acid

C8H11N3O2 — CID 105439315

IUPAC2-(1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESO=C(O)Cc1ncc2n1CCCN2
InChIInChI=1S/C8H11N3O2/c12-8(13)4-6-10-5-7-9-2-1-3-11(6)7/h5,9H,1-4H2,(H,12,13)
InChIKeyRLGXEAOFBQHRPT-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.33
Rot. Bonds2

About 2-(1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidin-6-yl)acetic acid

2-(1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidin-6-yl)acetic acid (PubChem CID 105439315) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidin-6-yl)acetic acid
PubChem CID105439315
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-(1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESO=C(O)Cc1ncc2n1CCCN2
InChIInChI=1S/C8H11N3O2/c12-8(13)4-6-10-5-7-9-2-1-3-11(6)7/h5,9H,1-4H2,(H,12,13)
InChIKeyRLGXEAOFBQHRPT-UHFFFAOYSA-N
XLogP0.33
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidin-6-yl)acetic acid (CID 105439315) is 2-(1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidin-6-yl)acetic acid is O=C(O)Cc1ncc2n1CCCN2.
What is the InChIKey of 2-(1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidin-6-yl)acetic acid?
The InChIKey is RLGXEAOFBQHRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-8(13)4-6-10-5-7-9-2-1-3-11(6)7/h5,9H,1-4H2,(H,12,13).
What are the key properties of 2-(1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidin-6-yl)acetic acid?
2-(1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidin-6-yl)acetic acid has a molecular weight of 181.19 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 105439315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).