9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one

C10H14N4O3 — CID 10130943

IUPAC9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one
SMILESO=C1NC=NC2C1N=CN2[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C10H14N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-9,15H,1-3H2,(H,11,12,16)/t6-,7+,8?,9?/m0/s1
InChIKeyRIPFNEBJVPSTQP-MZUZGICHSA-N
MW238.25 g/mol
LogP-1.32
Rot. Bonds2

About 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one

9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one (PubChem CID 10130943) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one.

Molecular Properties

Compound Name9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one
PubChem CID10130943
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one
SMILESO=C1NC=NC2C1N=CN2[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C10H14N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-9,15H,1-3H2,(H,11,12,16)/t6-,7+,8?,9?/m0/s1
InChIKeyRIPFNEBJVPSTQP-MZUZGICHSA-N
XLogP-1.32
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one?
The IUPAC name of 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one (CID 10130943) is 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one.
What is the SMILES notation for 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one?
The canonical SMILES for 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one is O=C1NC=NC2C1N=CN2[C@H]1CC[C@@H](CO)O1.
What is the InChIKey of 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one?
The InChIKey is RIPFNEBJVPSTQP-MZUZGICHSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-9,15H,1-3H2,(H,11,12,16)/t6-,7+,8?,9?/m0/s1.
What are the key properties of 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one?
9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one has a molecular weight of 238.25 g/mol, XLogP of -1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one is sourced from PubChem (CID 10130943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).