7-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyheptanamide

C12H19N7O2 — CID 127027441

IUPAC7-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyheptanamide
SMILESNc1nc(NCCCCCCC(=O)NO)c2[nH]cnc2n1
InChIInChI=1S/C12H19N7O2/c13-12-17-10(9-11(18-12)16-7-15-9)14-6-4-2-1-3-5-8(20)19-21/h7,21H,1-6H2,(H,19,20)(H4,13,14,15,16,17,18)
InChIKeyQTHQVNNQFHPGEC-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.80
Rot. Bonds8

About 7-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyheptanamide

7-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyheptanamide (PubChem CID 127027441) has the molecular formula C12H19N7O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 7-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyheptanamide
PubChem CID127027441
Molecular FormulaC12H19N7O2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name7-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyheptanamide
SMILESNc1nc(NCCCCCCC(=O)NO)c2[nH]cnc2n1
InChIInChI=1S/C12H19N7O2/c13-12-17-10(9-11(18-12)16-7-15-9)14-6-4-2-1-3-5-8(20)19-21/h7,21H,1-6H2,(H,19,20)(H4,13,14,15,16,17,18)
InChIKeyQTHQVNNQFHPGEC-UHFFFAOYSA-N
XLogP0.80
TPSA141.84 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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 7-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyheptanamide?
The IUPAC name of 7-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyheptanamide (CID 127027441) is 7-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyheptanamide?
The canonical SMILES for 7-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyheptanamide is Nc1nc(NCCCCCCC(=O)NO)c2[nH]cnc2n1.
What is the InChIKey of 7-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyheptanamide?
The InChIKey is QTHQVNNQFHPGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O2/c13-12-17-10(9-11(18-12)16-7-15-9)14-6-4-2-1-3-5-8(20)19-21/h7,21H,1-6H2,(H,19,20)(H4,13,14,15,16,17,18).
What are the key properties of 7-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyheptanamide?
7-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyheptanamide has a molecular weight of 293.33 g/mol, XLogP of 0.80, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyheptanamide is sourced from PubChem (CID 127027441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).