6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine

C₁₃H₁₀IN₅ — CID 123610590

About 6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine

6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine (PubChem CID 123610590) has the molecular formula C₁₃H₁₀IN₅ and a molecular weight of 363.16 g/mol. Its IUPAC name is 6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine.

Molecular Properties

• Compound Name: 6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine
• PubChem CID: 123610590
• Molecular Formula: C₁₃H₁₀IN₅
• Molecular Weight: 363.16 g/mol
• Exact Mass: 363.00
• IUPAC Name: 6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine
• SMILES: Nc1nc(-c2cnccn2)nc2ccc(CI)cc12
• InChI: InChI=1S/C13H10IN5/c14-6-8-1-2-10-9(5-8)12(15)19-13(18-10)11-7-16-3-4-17-11/h1-5,7H,6H2,(H2,15,18,19)
• InChIKey: KTHIZAQCMCRVNA-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 77.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.16
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine?

The IUPAC name of 6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine (CID 123610590) is 6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine.

What is the SMILES notation for 6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine?

The canonical SMILES for 6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine is Nc1nc(-c2cnccn2)nc2ccc(CI)cc12.

What is the InChIKey of 6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine?

The InChIKey is KTHIZAQCMCRVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10IN5/c14-6-8-1-2-10-9(5-8)12(15)19-13(18-10)11-7-16-3-4-17-11/h1-5,7H,6H2,(H2,15,18,19).

What are the key properties of 6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine?

6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine has a molecular weight of 363.16 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(iodomethyl)-2-pyrazin-2-ylquinazolin-4-amine is sourced from PubChem (CID 123610590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123610590 — identifiers, structure, computed properties (public domain)

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