3-(2-amino-6-piperazin-1-ylpurin-9-yl)-N-hexyl-N-methylpropanamide

C19H32N8O — CID 143467207

IUPAC3-(2-amino-6-piperazin-1-ylpurin-9-yl)-N-hexyl-N-methylpropanamide
SMILESCCCCCCN(C)C(=O)CCn1cnc2c(N3CCNCC3)nc(N)nc21
InChIInChI=1S/C19H32N8O/c1-3-4-5-6-10-25(2)15(28)7-11-27-14-22-16-17(23-19(20)24-18(16)27)26-12-8-21-9-13-26/h14,21H,3-13H2,1-2H3,(H2,20,23,24)
InChIKeyJCNWPXDYKBTCJS-UHFFFAOYSA-N
MW388.52 g/mol
LogP1.25
Rot. Bonds9

About 3-(2-amino-6-piperazin-1-ylpurin-9-yl)-N-hexyl-N-methylpropanamide

3-(2-amino-6-piperazin-1-ylpurin-9-yl)-N-hexyl-N-methylpropanamide (PubChem CID 143467207) has the molecular formula C19H32N8O and a molecular weight of 388.52 g/mol. Its IUPAC name is 3-(2-amino-6-piperazin-1-ylpurin-9-yl)-N-hexyl-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-amino-6-piperazin-1-ylpurin-9-yl)-N-hexyl-N-methylpropanamide
PubChem CID143467207
Molecular FormulaC19H32N8O
Molecular Weight388.52 g/mol
Exact Mass388.27
IUPAC Name3-(2-amino-6-piperazin-1-ylpurin-9-yl)-N-hexyl-N-methylpropanamide
SMILESCCCCCCN(C)C(=O)CCn1cnc2c(N3CCNCC3)nc(N)nc21
InChIInChI=1S/C19H32N8O/c1-3-4-5-6-10-25(2)15(28)7-11-27-14-22-16-17(23-19(20)24-18(16)27)26-12-8-21-9-13-26/h14,21H,3-13H2,1-2H3,(H2,20,23,24)
InChIKeyJCNWPXDYKBTCJS-UHFFFAOYSA-N
XLogP1.25
TPSA105.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 3-(2-amino-6-piperazin-1-ylpurin-9-yl)-N-hexyl-N-methylpropanamide?
The IUPAC name of 3-(2-amino-6-piperazin-1-ylpurin-9-yl)-N-hexyl-N-methylpropanamide (CID 143467207) is 3-(2-amino-6-piperazin-1-ylpurin-9-yl)-N-hexyl-N-methylpropanamide.
What is the SMILES notation for 3-(2-amino-6-piperazin-1-ylpurin-9-yl)-N-hexyl-N-methylpropanamide?
The canonical SMILES for 3-(2-amino-6-piperazin-1-ylpurin-9-yl)-N-hexyl-N-methylpropanamide is CCCCCCN(C)C(=O)CCn1cnc2c(N3CCNCC3)nc(N)nc21.
What is the InChIKey of 3-(2-amino-6-piperazin-1-ylpurin-9-yl)-N-hexyl-N-methylpropanamide?
The InChIKey is JCNWPXDYKBTCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N8O/c1-3-4-5-6-10-25(2)15(28)7-11-27-14-22-16-17(23-19(20)24-18(16)27)26-12-8-21-9-13-26/h14,21H,3-13H2,1-2H3,(H2,20,23,24).
What are the key properties of 3-(2-amino-6-piperazin-1-ylpurin-9-yl)-N-hexyl-N-methylpropanamide?
3-(2-amino-6-piperazin-1-ylpurin-9-yl)-N-hexyl-N-methylpropanamide has a molecular weight of 388.52 g/mol, XLogP of 1.25, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-piperazin-1-ylpurin-9-yl)-N-hexyl-N-methylpropanamide is sourced from PubChem (CID 143467207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).