2-tert-butylimidazo[1,2-a]pyrimidine-6-carbaldehyde

C11H13N3O — CID 83832182

IUPAC2-tert-butylimidazo[1,2-a]pyrimidine-6-carbaldehyde
SMILESCC(C)(C)c1cn2cc(C=O)cnc2n1
InChIInChI=1S/C11H13N3O/c1-11(2,3)9-6-14-5-8(7-15)4-12-10(14)13-9/h4-7H,1-3H3
InChIKeyBRCPWHPEWJTEHH-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.84
Rot. Bonds1

About 2-tert-butylimidazo[1,2-a]pyrimidine-6-carbaldehyde

2-tert-butylimidazo[1,2-a]pyrimidine-6-carbaldehyde (PubChem CID 83832182) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-tert-butylimidazo[1,2-a]pyrimidine-6-carbaldehyde.

Molecular Properties

Compound Name2-tert-butylimidazo[1,2-a]pyrimidine-6-carbaldehyde
PubChem CID83832182
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-tert-butylimidazo[1,2-a]pyrimidine-6-carbaldehyde
SMILESCC(C)(C)c1cn2cc(C=O)cnc2n1
InChIInChI=1S/C11H13N3O/c1-11(2,3)9-6-14-5-8(7-15)4-12-10(14)13-9/h4-7H,1-3H3
InChIKeyBRCPWHPEWJTEHH-UHFFFAOYSA-N
XLogP1.84
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylimidazo[1,2-a]pyrimidine-6-carbaldehyde?
The IUPAC name of 2-tert-butylimidazo[1,2-a]pyrimidine-6-carbaldehyde (CID 83832182) is 2-tert-butylimidazo[1,2-a]pyrimidine-6-carbaldehyde.
What is the SMILES notation for 2-tert-butylimidazo[1,2-a]pyrimidine-6-carbaldehyde?
The canonical SMILES for 2-tert-butylimidazo[1,2-a]pyrimidine-6-carbaldehyde is CC(C)(C)c1cn2cc(C=O)cnc2n1.
What is the InChIKey of 2-tert-butylimidazo[1,2-a]pyrimidine-6-carbaldehyde?
The InChIKey is BRCPWHPEWJTEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-11(2,3)9-6-14-5-8(7-15)4-12-10(14)13-9/h4-7H,1-3H3.
What are the key properties of 2-tert-butylimidazo[1,2-a]pyrimidine-6-carbaldehyde?
2-tert-butylimidazo[1,2-a]pyrimidine-6-carbaldehyde has a molecular weight of 203.25 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylimidazo[1,2-a]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 83832182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).