7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine

C₁₆H₂₃N₅ — CID 71603137

About 7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine

7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine (PubChem CID 71603137) has the molecular formula C₁₆H₂₃N₅ and a molecular weight of 285.39 g/mol. Its IUPAC name is 7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine.

Molecular Properties

• Compound Name: 7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine
• PubChem CID: 71603137
• Molecular Formula: C₁₆H₂₃N₅
• Molecular Weight: 285.39 g/mol
• Exact Mass: 285.20
• IUPAC Name: 7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine
• SMILES: CC(C)(C)c1ccc2c(N3CCNCC3)nc(N)nc2c1
• InChI: InChI=1S/C16H23N5/c1-16(2,3)11-4-5-12-13(10-11)19-15(17)20-14(12)21-8-6-18-7-9-21/h4-5,10,18H,6-9H2,1-3H3,(H2,17,19,20)
• InChIKey: DZIKZBZBMFPKFM-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 67.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	285.39
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine?

The IUPAC name of 7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine (CID 71603137) is 7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine.

What is the SMILES notation for 7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine?

The canonical SMILES for 7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine is CC(C)(C)c1ccc2c(N3CCNCC3)nc(N)nc2c1.

What is the InChIKey of 7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine?

The InChIKey is DZIKZBZBMFPKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-16(2,3)11-4-5-12-13(10-11)19-15(17)20-14(12)21-8-6-18-7-9-21/h4-5,10,18H,6-9H2,1-3H3,(H2,17,19,20).

What are the key properties of 7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine?

7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-tert-butyl-4-piperazin-1-ylquinazolin-2-amine is sourced from PubChem (CID 71603137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71603137 — identifiers, structure, computed properties (public domain)

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