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

C11H17N3O2 — CID 136995551

IUPAC2-(2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid
SMILESCC(C)c1nc2n(c1CC(=O)O)CCCN2
InChIInChI=1S/C11H17N3O2/c1-7(2)10-8(6-9(15)16)14-5-3-4-12-11(14)13-10/h7H,3-6H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyQBVQXFOLOHZDAL-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.45
Rot. Bonds3

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

2-(2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid (PubChem CID 136995551) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid
PubChem CID136995551
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid
SMILESCC(C)c1nc2n(c1CC(=O)O)CCCN2
InChIInChI=1S/C11H17N3O2/c1-7(2)10-8(6-9(15)16)14-5-3-4-12-11(14)13-10/h7H,3-6H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyQBVQXFOLOHZDAL-UHFFFAOYSA-N
XLogP1.45
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid?
The IUPAC name of 2-(2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid (CID 136995551) is 2-(2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-(2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-(2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid is CC(C)c1nc2n(c1CC(=O)O)CCCN2.
What is the InChIKey of 2-(2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid?
The InChIKey is QBVQXFOLOHZDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)10-8(6-9(15)16)14-5-3-4-12-11(14)13-10/h7H,3-6H2,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 2-(2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid?
2-(2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid has a molecular weight of 223.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid is sourced from PubChem (CID 136995551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).