6-[(9-butyl-2-chloropurin-6-yl)amino]-N-hydroxyhexanamide

C15H23ClN6O2 — CID 127027443

IUPAC6-[(9-butyl-2-chloropurin-6-yl)amino]-N-hydroxyhexanamide
SMILESCCCCn1cnc2c(NCCCCCC(=O)NO)nc(Cl)nc21
InChIInChI=1S/C15H23ClN6O2/c1-2-3-9-22-10-18-12-13(19-15(16)20-14(12)22)17-8-6-4-5-7-11(23)21-24/h10,24H,2-9H2,1H3,(H,21,23)(H,17,19,20)
InChIKeyQNAPKRSYIBOQEQ-UHFFFAOYSA-N
MW354.84 g/mol
LogP2.76
Rot. Bonds10

About 6-[(9-butyl-2-chloropurin-6-yl)amino]-N-hydroxyhexanamide

6-[(9-butyl-2-chloropurin-6-yl)amino]-N-hydroxyhexanamide (PubChem CID 127027443) has the molecular formula C15H23ClN6O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 6-[(9-butyl-2-chloropurin-6-yl)amino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[(9-butyl-2-chloropurin-6-yl)amino]-N-hydroxyhexanamide
PubChem CID127027443
Molecular FormulaC15H23ClN6O2
Molecular Weight354.84 g/mol
Exact Mass354.16
IUPAC Name6-[(9-butyl-2-chloropurin-6-yl)amino]-N-hydroxyhexanamide
SMILESCCCCn1cnc2c(NCCCCCC(=O)NO)nc(Cl)nc21
InChIInChI=1S/C15H23ClN6O2/c1-2-3-9-22-10-18-12-13(19-15(16)20-14(12)22)17-8-6-4-5-7-11(23)21-24/h10,24H,2-9H2,1H3,(H,21,23)(H,17,19,20)
InChIKeyQNAPKRSYIBOQEQ-UHFFFAOYSA-N
XLogP2.76
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 52.76
H-Bond Donors ≤ 53
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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Related Compounds

(1R,3R)-3-(6-Amino-purin-9-yl)-cyclopentanecarboxylic acid hydroxyamide
CID 10912305
(1R,3R)-2-[3-(6-Amino-purin-9-yl)-cyclopentyl]-N-hydroxy-acetamide
CID 10934704
N-hydroxy-7-[(2-morpholin-4-yl-7H-purin-6-yl)amino]heptanamide
CID 127025887
7-[[2-chloro-9-(2-methylpropyl)purin-6-yl]amino]-N-hydroxyheptanamide
CID 127026516
6-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyhexanamide
CID 127027439
6-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyhexanamide
CID 127027440
7-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyheptanamide
CID 127027441
6-[(9-butyl-2-morpholin-4-ylpurin-6-yl)amino]-N-hydroxyhexanamide
CID 127038202
7-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyheptanamide
CID 127039213
N-hydroxy-7-(7H-purin-6-ylamino)heptanamide
CID 127042095
3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide
CID 127025053
4-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide
CID 127025054

Frequently Asked Questions

What is the IUPAC name of 6-[(9-butyl-2-chloropurin-6-yl)amino]-N-hydroxyhexanamide?
The IUPAC name of 6-[(9-butyl-2-chloropurin-6-yl)amino]-N-hydroxyhexanamide (CID 127027443) is 6-[(9-butyl-2-chloropurin-6-yl)amino]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[(9-butyl-2-chloropurin-6-yl)amino]-N-hydroxyhexanamide?
The canonical SMILES for 6-[(9-butyl-2-chloropurin-6-yl)amino]-N-hydroxyhexanamide is CCCCn1cnc2c(NCCCCCC(=O)NO)nc(Cl)nc21.
What is the InChIKey of 6-[(9-butyl-2-chloropurin-6-yl)amino]-N-hydroxyhexanamide?
The InChIKey is QNAPKRSYIBOQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN6O2/c1-2-3-9-22-10-18-12-13(19-15(16)20-14(12)22)17-8-6-4-5-7-11(23)21-24/h10,24H,2-9H2,1H3,(H,21,23)(H,17,19,20).
What are the key properties of 6-[(9-butyl-2-chloropurin-6-yl)amino]-N-hydroxyhexanamide?
6-[(9-butyl-2-chloropurin-6-yl)amino]-N-hydroxyhexanamide has a molecular weight of 354.84 g/mol, XLogP of 2.76, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(9-butyl-2-chloropurin-6-yl)amino]-N-hydroxyhexanamide is sourced from PubChem (CID 127027443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).