9-(oxan-4-yl)-7H-purin-8-one

C10H12N4O2 — CID 71061782

IUPAC9-(oxan-4-yl)-7H-purin-8-one
SMILESO=c1[nH]c2cncnc2n1C1CCOCC1
InChIInChI=1S/C10H12N4O2/c15-10-13-8-5-11-6-12-9(8)14(10)7-1-3-16-4-2-7/h5-7H,1-4H2,(H,13,15)
InChIKeyZATRBMWPHHDQQM-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.47
Rot. Bonds1

About 9-(oxan-4-yl)-7H-purin-8-one

9-(oxan-4-yl)-7H-purin-8-one (PubChem CID 71061782) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 9-(oxan-4-yl)-7H-purin-8-one.

Molecular Properties

Compound Name9-(oxan-4-yl)-7H-purin-8-one
PubChem CID71061782
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name9-(oxan-4-yl)-7H-purin-8-one
SMILESO=c1[nH]c2cncnc2n1C1CCOCC1
InChIInChI=1S/C10H12N4O2/c15-10-13-8-5-11-6-12-9(8)14(10)7-1-3-16-4-2-7/h5-7H,1-4H2,(H,13,15)
InChIKeyZATRBMWPHHDQQM-UHFFFAOYSA-N
XLogP0.47
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(1-methylsulfonylpiperidin-4-yl)-7H-purin-8-one
CID 141313318
7-(oxan-4-yl)-9H-purin-8-one
CID 129139763
9-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-7H-purin-8-one
CID 53181119
9-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-7H-purin-8-one
CID 53181149
9-[1-(thiophene-2-carbonyl)piperidin-4-yl]-7H-purin-8-one
CID 53181148
(4S)-5,5-dimethyl-3-[4-(8-oxo-7H-purin-9-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 71681649
9-(1-but-2-ynoylpyrrolidin-3-yl)-7H-purin-8-one
CID 175848647
9-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]-7H-purin-8-one
CID 95105404
9-[1-[3-chloro-5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]-7H-purin-8-one
CID 10025567
9-[(2R,4R)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-7H-purin-8-one
CID 163296230
9-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-3-yl]-7H-purin-8-one
CID 53181108
2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)-7H-purin-8-one
CID 46880122

Frequently Asked Questions

What is the IUPAC name of 9-(oxan-4-yl)-7H-purin-8-one?
The IUPAC name of 9-(oxan-4-yl)-7H-purin-8-one (CID 71061782) is 9-(oxan-4-yl)-7H-purin-8-one.
What is the SMILES notation for 9-(oxan-4-yl)-7H-purin-8-one?
The canonical SMILES for 9-(oxan-4-yl)-7H-purin-8-one is O=c1[nH]c2cncnc2n1C1CCOCC1.
What is the InChIKey of 9-(oxan-4-yl)-7H-purin-8-one?
The InChIKey is ZATRBMWPHHDQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c15-10-13-8-5-11-6-12-9(8)14(10)7-1-3-16-4-2-7/h5-7H,1-4H2,(H,13,15).
What are the key properties of 9-(oxan-4-yl)-7H-purin-8-one?
9-(oxan-4-yl)-7H-purin-8-one has a molecular weight of 220.23 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(oxan-4-yl)-7H-purin-8-one is sourced from PubChem (CID 71061782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).