7-tert-butyl-2-propan-2-ylimidazo[1,2-a]pyrimidine

C13H19N3 — CID 58415246

IUPAC7-tert-butyl-2-propan-2-ylimidazo[1,2-a]pyrimidine
SMILESCC(C)c1cn2ccc(C(C)(C)C)nc2n1
InChIInChI=1S/C13H19N3/c1-9(2)10-8-16-7-6-11(13(3,4)5)15-12(16)14-10/h6-9H,1-5H3
InChIKeyPTQORIPRABNFMX-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.15
Rot. Bonds1

About 7-tert-butyl-2-propan-2-ylimidazo[1,2-a]pyrimidine

7-tert-butyl-2-propan-2-ylimidazo[1,2-a]pyrimidine (PubChem CID 58415246) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 7-tert-butyl-2-propan-2-ylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-tert-butyl-2-propan-2-ylimidazo[1,2-a]pyrimidine
PubChem CID58415246
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name7-tert-butyl-2-propan-2-ylimidazo[1,2-a]pyrimidine
SMILESCC(C)c1cn2ccc(C(C)(C)C)nc2n1
InChIInChI=1S/C13H19N3/c1-9(2)10-8-16-7-6-11(13(3,4)5)15-12(16)14-10/h6-9H,1-5H3
InChIKeyPTQORIPRABNFMX-UHFFFAOYSA-N
XLogP3.15
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-propan-2-ylimidazo[1,2-a]pyrimidine?
The IUPAC name of 7-tert-butyl-2-propan-2-ylimidazo[1,2-a]pyrimidine (CID 58415246) is 7-tert-butyl-2-propan-2-ylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-tert-butyl-2-propan-2-ylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-tert-butyl-2-propan-2-ylimidazo[1,2-a]pyrimidine is CC(C)c1cn2ccc(C(C)(C)C)nc2n1.
What is the InChIKey of 7-tert-butyl-2-propan-2-ylimidazo[1,2-a]pyrimidine?
The InChIKey is PTQORIPRABNFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9(2)10-8-16-7-6-11(13(3,4)5)15-12(16)14-10/h6-9H,1-5H3.
What are the key properties of 7-tert-butyl-2-propan-2-ylimidazo[1,2-a]pyrimidine?
7-tert-butyl-2-propan-2-ylimidazo[1,2-a]pyrimidine has a molecular weight of 217.32 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-propan-2-ylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 58415246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).