3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine

C₁₂H₁₅BrN₂ — CID 141214894

About 3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine

3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine (PubChem CID 141214894) has the molecular formula C₁₂H₁₅BrN₂ and a molecular weight of 267.17 g/mol. Its IUPAC name is 3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine.

Molecular Properties

• Compound Name: 3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine
• PubChem CID: 141214894
• Molecular Formula: C₁₂H₁₅BrN₂
• Molecular Weight: 267.17 g/mol
• Exact Mass: 266.04
• IUPAC Name: 3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine
• SMILES: CCCCC1=C(Br)CN2C=CC=CC2=N1
• InChI: InChI=1S/C12H15BrN2/c1-2-3-6-11-10(13)9-15-8-5-4-7-12(15)14-11/h4-5,7-8H,2-3,6,9H2,1H3
• InChIKey: HEUSEGVRRFATFA-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 15.60 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.17
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine?

The IUPAC name of 3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine (CID 141214894) is 3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine.

What is the SMILES notation for 3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine?

The canonical SMILES for 3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine is CCCCC1=C(Br)CN2C=CC=CC2=N1.

What is the InChIKey of 3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine?

The InChIKey is HEUSEGVRRFATFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-2-3-6-11-10(13)9-15-8-5-4-7-12(15)14-11/h4-5,7-8H,2-3,6,9H2,1H3.

What are the key properties of 3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine?

3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine has a molecular weight of 267.17 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 141214894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141214894 — identifiers, structure, computed properties (public domain)

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