6-[(9-butyl-2-morpholin-4-ylpurin-6-yl)amino]-N-hydroxyhexanamide

C19H31N7O3 — CID 127038202

IUPAC6-[(9-butyl-2-morpholin-4-ylpurin-6-yl)amino]-N-hydroxyhexanamide
SMILESCCCCn1cnc2c(NCCCCCC(=O)NO)nc(N3CCOCC3)nc21
InChIInChI=1S/C19H31N7O3/c1-2-3-9-26-14-21-16-17(20-8-6-4-5-7-15(27)24-28)22-19(23-18(16)26)25-10-12-29-13-11-25/h14,28H,2-13H2,1H3,(H,24,27)(H,20,22,23)
InChIKeyQGOGEYVRTJMPGI-UHFFFAOYSA-N
MW405.50 g/mol
LogP1.94
Rot. Bonds11

About 6-[(9-butyl-2-morpholin-4-ylpurin-6-yl)amino]-N-hydroxyhexanamide

6-[(9-butyl-2-morpholin-4-ylpurin-6-yl)amino]-N-hydroxyhexanamide (PubChem CID 127038202) has the molecular formula C19H31N7O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 6-[(9-butyl-2-morpholin-4-ylpurin-6-yl)amino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[(9-butyl-2-morpholin-4-ylpurin-6-yl)amino]-N-hydroxyhexanamide
PubChem CID127038202
Molecular FormulaC19H31N7O3
Molecular Weight405.50 g/mol
Exact Mass405.25
IUPAC Name6-[(9-butyl-2-morpholin-4-ylpurin-6-yl)amino]-N-hydroxyhexanamide
SMILESCCCCn1cnc2c(NCCCCCC(=O)NO)nc(N3CCOCC3)nc21
InChIInChI=1S/C19H31N7O3/c1-2-3-9-26-14-21-16-17(20-8-6-4-5-7-15(27)24-28)22-19(23-18(16)26)25-10-12-29-13-11-25/h14,28H,2-13H2,1H3,(H,24,27)(H,20,22,23)
InChIKeyQGOGEYVRTJMPGI-UHFFFAOYSA-N
XLogP1.94
TPSA117.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-[(9-butyl-2-morpholin-4-ylpurin-6-yl)amino]-N-hydroxyhexanamide?
The IUPAC name of 6-[(9-butyl-2-morpholin-4-ylpurin-6-yl)amino]-N-hydroxyhexanamide (CID 127038202) is 6-[(9-butyl-2-morpholin-4-ylpurin-6-yl)amino]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[(9-butyl-2-morpholin-4-ylpurin-6-yl)amino]-N-hydroxyhexanamide?
The canonical SMILES for 6-[(9-butyl-2-morpholin-4-ylpurin-6-yl)amino]-N-hydroxyhexanamide is CCCCn1cnc2c(NCCCCCC(=O)NO)nc(N3CCOCC3)nc21.
What is the InChIKey of 6-[(9-butyl-2-morpholin-4-ylpurin-6-yl)amino]-N-hydroxyhexanamide?
The InChIKey is QGOGEYVRTJMPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7O3/c1-2-3-9-26-14-21-16-17(20-8-6-4-5-7-15(27)24-28)22-19(23-18(16)26)25-10-12-29-13-11-25/h14,28H,2-13H2,1H3,(H,24,27)(H,20,22,23).
What are the key properties of 6-[(9-butyl-2-morpholin-4-ylpurin-6-yl)amino]-N-hydroxyhexanamide?
6-[(9-butyl-2-morpholin-4-ylpurin-6-yl)amino]-N-hydroxyhexanamide has a molecular weight of 405.50 g/mol, XLogP of 1.94, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(9-butyl-2-morpholin-4-ylpurin-6-yl)amino]-N-hydroxyhexanamide is sourced from PubChem (CID 127038202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).