5-propan-2-ylimidazo[1,2-a]pyrimidine

C9H11N3 — CID 58514419

IUPAC5-propan-2-ylimidazo[1,2-a]pyrimidine
SMILESCC(C)c1ccnc2nccn12
InChIInChI=1S/C9H11N3/c1-7(2)8-3-4-10-9-11-5-6-12(8)9/h3-7H,1-2H3
InChIKeyQVPSNEHBGQTAFB-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.85
Rot. Bonds1

About 5-propan-2-ylimidazo[1,2-a]pyrimidine

5-propan-2-ylimidazo[1,2-a]pyrimidine (PubChem CID 58514419) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 5-propan-2-ylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5-propan-2-ylimidazo[1,2-a]pyrimidine
PubChem CID58514419
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name5-propan-2-ylimidazo[1,2-a]pyrimidine
SMILESCC(C)c1ccnc2nccn12
InChIInChI=1S/C9H11N3/c1-7(2)8-3-4-10-9-11-5-6-12(8)9/h3-7H,1-2H3
InChIKeyQVPSNEHBGQTAFB-UHFFFAOYSA-N
XLogP1.85
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylimidazo[1,2-a]pyrimidine?
The IUPAC name of 5-propan-2-ylimidazo[1,2-a]pyrimidine (CID 58514419) is 5-propan-2-ylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5-propan-2-ylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 5-propan-2-ylimidazo[1,2-a]pyrimidine is CC(C)c1ccnc2nccn12.
What is the InChIKey of 5-propan-2-ylimidazo[1,2-a]pyrimidine?
The InChIKey is QVPSNEHBGQTAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-7(2)8-3-4-10-9-11-5-6-12(8)9/h3-7H,1-2H3.
What are the key properties of 5-propan-2-ylimidazo[1,2-a]pyrimidine?
5-propan-2-ylimidazo[1,2-a]pyrimidine has a molecular weight of 161.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 58514419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).