6-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide

C20H26N8O3 — CID 118366992

IUPAC6-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide
SMILESNc1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCC(=O)NO)c3n2)cn1
InChIInChI=1S/C20H26N8O3/c21-15-6-5-14(12-22-15)18-24-19(27-8-10-31-11-9-27)17-20(25-18)28(13-23-17)7-3-1-2-4-16(29)26-30/h5-6,12-13,30H,1-4,7-11H2,(H2,21,22)(H,26,29)
InChIKeyFYKSINUYVKUXMV-UHFFFAOYSA-N
MW426.48 g/mol
LogP1.37
Rot. Bonds8

About 6-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide

6-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide (PubChem CID 118366992) has the molecular formula C20H26N8O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 6-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide
PubChem CID118366992
Molecular FormulaC20H26N8O3
Molecular Weight426.48 g/mol
Exact Mass426.21
IUPAC Name6-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide
SMILESNc1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCC(=O)NO)c3n2)cn1
InChIInChI=1S/C20H26N8O3/c21-15-6-5-14(12-22-15)18-24-19(27-8-10-31-11-9-27)17-20(25-18)28(13-23-17)7-3-1-2-4-16(29)26-30/h5-6,12-13,30H,1-4,7-11H2,(H2,21,22)(H,26,29)
InChIKeyFYKSINUYVKUXMV-UHFFFAOYSA-N
XLogP1.37
TPSA144.31 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide?
The IUPAC name of 6-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide (CID 118366992) is 6-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide?
The canonical SMILES for 6-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide is Nc1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCC(=O)NO)c3n2)cn1.
What is the InChIKey of 6-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide?
The InChIKey is FYKSINUYVKUXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O3/c21-15-6-5-14(12-22-15)18-24-19(27-8-10-31-11-9-27)17-20(25-18)28(13-23-17)7-3-1-2-4-16(29)26-30/h5-6,12-13,30H,1-4,7-11H2,(H2,21,22)(H,26,29).
What are the key properties of 6-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide?
6-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide has a molecular weight of 426.48 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide is sourced from PubChem (CID 118366992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).