6-morpholin-4-yl-7,9-dihydropurin-8-one

C9H11N5O2 — CID 158639391

IUPAC6-morpholin-4-yl-7,9-dihydropurin-8-one
SMILESO=c1[nH]c2ncnc(N3CCOCC3)c2[nH]1
InChIInChI=1S/C9H11N5O2/c15-9-12-6-7(13-9)10-5-11-8(6)14-1-3-16-4-2-14/h5H,1-4H2,(H2,10,11,12,13,15)
InChIKeyIAEKBZBTZMZKOE-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.52
Rot. Bonds1

About 6-morpholin-4-yl-7,9-dihydropurin-8-one

6-morpholin-4-yl-7,9-dihydropurin-8-one (PubChem CID 158639391) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 6-morpholin-4-yl-7,9-dihydropurin-8-one.

Molecular Properties

Compound Name6-morpholin-4-yl-7,9-dihydropurin-8-one
PubChem CID158639391
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name6-morpholin-4-yl-7,9-dihydropurin-8-one
SMILESO=c1[nH]c2ncnc(N3CCOCC3)c2[nH]1
InChIInChI=1S/C9H11N5O2/c15-9-12-6-7(13-9)10-5-11-8(6)14-1-3-16-4-2-14/h5H,1-4H2,(H2,10,11,12,13,15)
InChIKeyIAEKBZBTZMZKOE-UHFFFAOYSA-N
XLogP-0.52
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-7,9-dihydropurin-8-one?
The IUPAC name of 6-morpholin-4-yl-7,9-dihydropurin-8-one (CID 158639391) is 6-morpholin-4-yl-7,9-dihydropurin-8-one.
What is the SMILES notation for 6-morpholin-4-yl-7,9-dihydropurin-8-one?
The canonical SMILES for 6-morpholin-4-yl-7,9-dihydropurin-8-one is O=c1[nH]c2ncnc(N3CCOCC3)c2[nH]1.
What is the InChIKey of 6-morpholin-4-yl-7,9-dihydropurin-8-one?
The InChIKey is IAEKBZBTZMZKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c15-9-12-6-7(13-9)10-5-11-8(6)14-1-3-16-4-2-14/h5H,1-4H2,(H2,10,11,12,13,15).
What are the key properties of 6-morpholin-4-yl-7,9-dihydropurin-8-one?
6-morpholin-4-yl-7,9-dihydropurin-8-one has a molecular weight of 221.22 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-7,9-dihydropurin-8-one is sourced from PubChem (CID 158639391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).