21047-89-2 | N-(6-Oxo-6,7-dihydro-1h-purin-2-yl)isobutyramide

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$13.00	$9.00
1g	98%	in stock	$16.00	$11.00
5g	98%	in stock	$19.00	$14.00
25g	98%	in stock	$47.00	$33.00
100g	98%	in stock	$150.00	$105.00

Description

• Catalog Number: AB20071
• Chemical Name: N-(6-Oxo-6,7-dihydro-1h-purin-2-yl)isobutyramide
• CAS Number: 21047-89-2
• Molecular Formula: C9H11N5O2
• Molecular Weight: 221.2159
• MDL Number: MFCD16038625
• SMILES: O=C(C(C)C)Nc1[nH]c(=O)c2c(n1)[nH]cn2
• NSC Number: 637538

Computed Properties

• Complexity: 352
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 3
• Rotatable Bond Count: 2
• XLogP3: 0.2

Upstream Synthesis Route

N-(6-Oxo-6,7-dihydro-1H-purin-2-yl)isobutyramide is a versatile chemical compound commonly used in chemical synthesis processes. This compound plays a crucial role as a building block in the development of various pharmaceuticals, agrochemicals, and advanced materials. Its unique structure and properties make it a valuable intermediate in the synthesis of purine derivatives, which are key components in the production of antiviral and anticancer drugs. Additionally, N-(6-Oxo-6,7-dihydro-1H-purin-2-yl)isobutyramide can be employed in the preparation of complex heterocyclic compounds with diverse applications in medicinal chemistry and material science. Its integration in synthetic pathways underscores its importance as a valuable tool for chemical researchers and industries seeking to develop novel compounds with enhanced biological activities and material properties.

Literature

• [Polymethylene derivatives of nucleic bases bearing omega-functional groups. VIII. omega-oxo-omega-phenylalkyl pyrimidines and purines].

  Bioorganicheskaia khimiia 20100101

• [Polymethylene derivatives of nucleic bases with omega-functional groups: VII. Cytotoxicity in the series of N-(2-oxocyclohexyl)-omega-oxoalkyl substituted purines and pyrimidines].

  Bioorganicheskaia khimiia 20090101