7-(2,6-dimorpholin-4-ylpurin-9-yl)-N-hydroxyheptanamide

C20H31N7O4 — CID 118374547

IUPAC7-(2,6-dimorpholin-4-ylpurin-9-yl)-N-hydroxyheptanamide
SMILESO=C(CCCCCCn1cnc2c(N3CCOCC3)nc(N3CCOCC3)nc21)NO
InChIInChI=1S/C20H31N7O4/c28-16(24-29)5-3-1-2-4-6-27-15-21-17-18(25-7-11-30-12-8-25)22-20(23-19(17)27)26-9-13-31-14-10-26/h15,29H,1-14H2,(H,24,28)
InChIKeyNUVDAMNLGKTMIT-UHFFFAOYSA-N
MW433.51 g/mol
LogP0.96
Rot. Bonds9

About 7-(2,6-dimorpholin-4-ylpurin-9-yl)-N-hydroxyheptanamide

7-(2,6-dimorpholin-4-ylpurin-9-yl)-N-hydroxyheptanamide (PubChem CID 118374547) has the molecular formula C20H31N7O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 7-(2,6-dimorpholin-4-ylpurin-9-yl)-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-(2,6-dimorpholin-4-ylpurin-9-yl)-N-hydroxyheptanamide
PubChem CID118374547
Molecular FormulaC20H31N7O4
Molecular Weight433.51 g/mol
Exact Mass433.24
IUPAC Name7-(2,6-dimorpholin-4-ylpurin-9-yl)-N-hydroxyheptanamide
SMILESO=C(CCCCCCn1cnc2c(N3CCOCC3)nc(N3CCOCC3)nc21)NO
InChIInChI=1S/C20H31N7O4/c28-16(24-29)5-3-1-2-4-6-27-15-21-17-18(25-7-11-30-12-8-25)22-20(23-19(17)27)26-9-13-31-14-10-26/h15,29H,1-14H2,(H,24,28)
InChIKeyNUVDAMNLGKTMIT-UHFFFAOYSA-N
XLogP0.96
TPSA117.87 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 50.96
H-Bond Donors ≤ 52
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 7-(2,6-dimorpholin-4-ylpurin-9-yl)-N-hydroxyheptanamide?
The IUPAC name of 7-(2,6-dimorpholin-4-ylpurin-9-yl)-N-hydroxyheptanamide (CID 118374547) is 7-(2,6-dimorpholin-4-ylpurin-9-yl)-N-hydroxyheptanamide.
What is the SMILES notation for 7-(2,6-dimorpholin-4-ylpurin-9-yl)-N-hydroxyheptanamide?
The canonical SMILES for 7-(2,6-dimorpholin-4-ylpurin-9-yl)-N-hydroxyheptanamide is O=C(CCCCCCn1cnc2c(N3CCOCC3)nc(N3CCOCC3)nc21)NO.
What is the InChIKey of 7-(2,6-dimorpholin-4-ylpurin-9-yl)-N-hydroxyheptanamide?
The InChIKey is NUVDAMNLGKTMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7O4/c28-16(24-29)5-3-1-2-4-6-27-15-21-17-18(25-7-11-30-12-8-25)22-20(23-19(17)27)26-9-13-31-14-10-26/h15,29H,1-14H2,(H,24,28).
What are the key properties of 7-(2,6-dimorpholin-4-ylpurin-9-yl)-N-hydroxyheptanamide?
7-(2,6-dimorpholin-4-ylpurin-9-yl)-N-hydroxyheptanamide has a molecular weight of 433.51 g/mol, XLogP of 0.96, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimorpholin-4-ylpurin-9-yl)-N-hydroxyheptanamide is sourced from PubChem (CID 118374547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).