6-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide

C19H25N9O3 — CID 118374524

IUPAC6-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3CCCCCC(=O)NO)cn1
InChIInChI=1S/C19H25N9O3/c20-18-21-10-13(11-22-18)15-16-17(25-19(24-15)27-6-8-31-9-7-27)28(12-23-16)5-3-1-2-4-14(29)26-30/h10-12,30H,1-9H2,(H,26,29)(H2,20,21,22)
InChIKeyPANIUKDSNUOBOH-UHFFFAOYSA-N
MW427.47 g/mol
LogP0.77
Rot. Bonds8

About 6-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide

6-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide (PubChem CID 118374524) has the molecular formula C19H25N9O3 and a molecular weight of 427.47 g/mol. Its IUPAC name is 6-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide
PubChem CID118374524
Molecular FormulaC19H25N9O3
Molecular Weight427.47 g/mol
Exact Mass427.21
IUPAC Name6-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3CCCCCC(=O)NO)cn1
InChIInChI=1S/C19H25N9O3/c20-18-21-10-13(11-22-18)15-16-17(25-19(24-15)27-6-8-31-9-7-27)28(12-23-16)5-3-1-2-4-14(29)26-30/h10-12,30H,1-9H2,(H,26,29)(H2,20,21,22)
InChIKeyPANIUKDSNUOBOH-UHFFFAOYSA-N
XLogP0.77
TPSA157.20 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.47
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide?
The IUPAC name of 6-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide (CID 118374524) is 6-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide?
The canonical SMILES for 6-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide is Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3CCCCCC(=O)NO)cn1.
What is the InChIKey of 6-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide?
The InChIKey is PANIUKDSNUOBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N9O3/c20-18-21-10-13(11-22-18)15-16-17(25-19(24-15)27-6-8-31-9-7-27)28(12-23-16)5-3-1-2-4-14(29)26-30/h10-12,30H,1-9H2,(H,26,29)(H2,20,21,22).
What are the key properties of 6-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide?
6-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide has a molecular weight of 427.47 g/mol, XLogP of 0.77, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide is sourced from PubChem (CID 118374524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).