6-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyhexanamide

C14H23N7O2 — CID 127027440

IUPAC6-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyhexanamide
SMILESCC(C)n1cnc2c(NCCCCCC(=O)NO)nc(N)nc21
InChIInChI=1S/C14H23N7O2/c1-9(2)21-8-17-11-12(18-14(15)19-13(11)21)16-7-5-3-4-6-10(22)20-23/h8-9,23H,3-7H2,1-2H3,(H,20,22)(H3,15,16,18,19)
InChIKeyDQXQMCUQEPLNCB-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.47
Rot. Bonds8

About 6-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyhexanamide

6-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyhexanamide (PubChem CID 127027440) has the molecular formula C14H23N7O2 and a molecular weight of 321.39 g/mol. Its IUPAC name is 6-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyhexanamide
PubChem CID127027440
Molecular FormulaC14H23N7O2
Molecular Weight321.39 g/mol
Exact Mass321.19
IUPAC Name6-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyhexanamide
SMILESCC(C)n1cnc2c(NCCCCCC(=O)NO)nc(N)nc21
InChIInChI=1S/C14H23N7O2/c1-9(2)21-8-17-11-12(18-14(15)19-13(11)21)16-7-5-3-4-6-10(22)20-23/h8-9,23H,3-7H2,1-2H3,(H,20,22)(H3,15,16,18,19)
InChIKeyDQXQMCUQEPLNCB-UHFFFAOYSA-N
XLogP1.47
TPSA130.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyhexanamide?
The IUPAC name of 6-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyhexanamide (CID 127027440) is 6-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyhexanamide?
The canonical SMILES for 6-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyhexanamide is CC(C)n1cnc2c(NCCCCCC(=O)NO)nc(N)nc21.
What is the InChIKey of 6-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyhexanamide?
The InChIKey is DQXQMCUQEPLNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O2/c1-9(2)21-8-17-11-12(18-14(15)19-13(11)21)16-7-5-3-4-6-10(22)20-23/h8-9,23H,3-7H2,1-2H3,(H,20,22)(H3,15,16,18,19).
What are the key properties of 6-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyhexanamide?
6-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyhexanamide has a molecular weight of 321.39 g/mol, XLogP of 1.47, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyhexanamide is sourced from PubChem (CID 127027440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).