6-hexyl-2-methylimidazo[1,2-a]pyrimidine

C13H19N3 — CID 91012146

IUPAC6-hexyl-2-methylimidazo[1,2-a]pyrimidine
SMILESCCCCCCc1cnc2nc(C)cn2c1
InChIInChI=1S/C13H19N3/c1-3-4-5-6-7-12-8-14-13-15-11(2)9-16(13)10-12/h8-10H,3-7H2,1-2H3
InChIKeySQPPHVJHMLLKSQ-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.16
Rot. Bonds5

About 6-hexyl-2-methylimidazo[1,2-a]pyrimidine

6-hexyl-2-methylimidazo[1,2-a]pyrimidine (PubChem CID 91012146) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 6-hexyl-2-methylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-hexyl-2-methylimidazo[1,2-a]pyrimidine
PubChem CID91012146
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name6-hexyl-2-methylimidazo[1,2-a]pyrimidine
SMILESCCCCCCc1cnc2nc(C)cn2c1
InChIInChI=1S/C13H19N3/c1-3-4-5-6-7-12-8-14-13-15-11(2)9-16(13)10-12/h8-10H,3-7H2,1-2H3
InChIKeySQPPHVJHMLLKSQ-UHFFFAOYSA-N
XLogP3.16
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hexyl-2-methylimidazo[1,2-a]pyrimidine?
The IUPAC name of 6-hexyl-2-methylimidazo[1,2-a]pyrimidine (CID 91012146) is 6-hexyl-2-methylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-hexyl-2-methylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-hexyl-2-methylimidazo[1,2-a]pyrimidine is CCCCCCc1cnc2nc(C)cn2c1.
What is the InChIKey of 6-hexyl-2-methylimidazo[1,2-a]pyrimidine?
The InChIKey is SQPPHVJHMLLKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-4-5-6-7-12-8-14-13-15-11(2)9-16(13)10-12/h8-10H,3-7H2,1-2H3.
What are the key properties of 6-hexyl-2-methylimidazo[1,2-a]pyrimidine?
6-hexyl-2-methylimidazo[1,2-a]pyrimidine has a molecular weight of 217.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexyl-2-methylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 91012146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).