9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]-1H-purin-6-one

C11H14N4O3 — CID 135704115

IUPAC9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]-1H-purin-6-one
SMILESC[C@H]1C[C@@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H14N4O3/c1-5-2-6(9(17)8(5)16)15-4-14-7-10(15)12-3-13-11(7)18/h3-6,8-9,16-17H,2H2,1H3,(H,12,13,18)/t5-,6+,8+,9-/m0/s1
InChIKeyUZEOAVRGNBAIJW-LWIVVEGESA-N
MW250.26 g/mol
LogP-0.58
Rot. Bonds1

About 9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]-1H-purin-6-one

9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]-1H-purin-6-one (PubChem CID 135704115) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]-1H-purin-6-one.

Molecular Properties

Compound Name9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]-1H-purin-6-one
PubChem CID135704115
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]-1H-purin-6-one
SMILESC[C@H]1C[C@@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H14N4O3/c1-5-2-6(9(17)8(5)16)15-4-14-7-10(15)12-3-13-11(7)18/h3-6,8-9,16-17H,2H2,1H3,(H,12,13,18)/t5-,6+,8+,9-/m0/s1
InChIKeyUZEOAVRGNBAIJW-LWIVVEGESA-N
XLogP-0.58
TPSA104.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]-1H-purin-6-one?
The IUPAC name of 9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]-1H-purin-6-one (CID 135704115) is 9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]-1H-purin-6-one.
What is the SMILES notation for 9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]-1H-purin-6-one?
The canonical SMILES for 9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]-1H-purin-6-one is C[C@H]1C[C@@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@@H]1O.
What is the InChIKey of 9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]-1H-purin-6-one?
The InChIKey is UZEOAVRGNBAIJW-LWIVVEGESA-N. The full InChI is InChI=1S/C11H14N4O3/c1-5-2-6(9(17)8(5)16)15-4-14-7-10(15)12-3-13-11(7)18/h3-6,8-9,16-17H,2H2,1H3,(H,12,13,18)/t5-,6+,8+,9-/m0/s1.
What are the key properties of 9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]-1H-purin-6-one?
9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]-1H-purin-6-one has a molecular weight of 250.26 g/mol, XLogP of -0.58, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]-1H-purin-6-one is sourced from PubChem (CID 135704115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).