9-[(2R,4R)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-7H-purin-8-one

C11H14N4O3 — CID 163296230

IUPAC9-[(2R,4R)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-7H-purin-8-one
SMILESC[C@@H]1C[C@H](n2c(=O)[nH]c3cncnc32)OC1CO
InChIInChI=1S/C11H14N4O3/c1-6-2-9(18-8(6)4-16)15-10-7(14-11(15)17)3-12-5-13-10/h3,5-6,8-9,16H,2,4H2,1H3,(H,14,17)/t6-,8?,9-/m1/s1
InChIKeyDDASDNQTLGYGDF-CQTSCFDVSA-N
MW250.26 g/mol
LogP0.04
Rot. Bonds2

About 9-[(2R,4R)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-7H-purin-8-one

9-[(2R,4R)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-7H-purin-8-one (PubChem CID 163296230) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 9-[(2R,4R)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-7H-purin-8-one.

Molecular Properties

Compound Name9-[(2R,4R)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-7H-purin-8-one
PubChem CID163296230
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name9-[(2R,4R)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-7H-purin-8-one
SMILESC[C@@H]1C[C@H](n2c(=O)[nH]c3cncnc32)OC1CO
InChIInChI=1S/C11H14N4O3/c1-6-2-9(18-8(6)4-16)15-10-7(14-11(15)17)3-12-5-13-10/h3,5-6,8-9,16H,2,4H2,1H3,(H,14,17)/t6-,8?,9-/m1/s1
InChIKeyDDASDNQTLGYGDF-CQTSCFDVSA-N
XLogP0.04
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-(oxan-4-yl)-7H-purin-8-one
CID 71061782
9-(1-methylsulfonylpiperidin-4-yl)-7H-purin-8-one
CID 141313318
9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;7H-purine
CID 174945828
2-(15N)azanyl-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione
CID 139025682
2-amino-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione
CID 135433642
2-amino-9-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione
CID 163296296
9-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-7H-purin-8-one
CID 53181119
3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrimidine-2,4-dione
CID 170680146
3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrimidine-2,4-dione
CID 167063056
1-cyclohexa-1,5-dien-1-yl-3-[9-[(2R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-oxo-7H-purin-6-yl]urea
CID 170584787
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione;hydrate
CID 141452836
6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazine-2,4-dione
CID 71313544

Frequently Asked Questions

What is the IUPAC name of 9-[(2R,4R)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-7H-purin-8-one?
The IUPAC name of 9-[(2R,4R)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-7H-purin-8-one (CID 163296230) is 9-[(2R,4R)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-7H-purin-8-one.
What is the SMILES notation for 9-[(2R,4R)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-7H-purin-8-one?
The canonical SMILES for 9-[(2R,4R)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-7H-purin-8-one is C[C@@H]1C[C@H](n2c(=O)[nH]c3cncnc32)OC1CO.
What is the InChIKey of 9-[(2R,4R)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-7H-purin-8-one?
The InChIKey is DDASDNQTLGYGDF-CQTSCFDVSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-6-2-9(18-8(6)4-16)15-10-7(14-11(15)17)3-12-5-13-10/h3,5-6,8-9,16H,2,4H2,1H3,(H,14,17)/t6-,8?,9-/m1/s1.
What are the key properties of 9-[(2R,4R)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-7H-purin-8-one?
9-[(2R,4R)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-7H-purin-8-one has a molecular weight of 250.26 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,4R)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-7H-purin-8-one is sourced from PubChem (CID 163296230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).