9-[(1R,2R)-2-hydroxycyclohexyl]-1H-purin-6-one

C11H14N4O2 — CID 135431287

IUPAC9-[(1R,2R)-2-hydroxycyclohexyl]-1H-purin-6-one
SMILESO=c1[nH]cnc2c1ncn2[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C11H14N4O2/c16-8-4-2-1-3-7(8)15-6-14-9-10(15)12-5-13-11(9)17/h5-8,16H,1-4H2,(H,12,13,17)/t7-,8-/m1/s1
InChIKeyMRUIYTLBMWPOQV-HTQZYQBOSA-N
MW234.26 g/mol
LogP0.60
Rot. Bonds1

About 9-[(1R,2R)-2-hydroxycyclohexyl]-1H-purin-6-one

9-[(1R,2R)-2-hydroxycyclohexyl]-1H-purin-6-one (PubChem CID 135431287) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 9-[(1R,2R)-2-hydroxycyclohexyl]-1H-purin-6-one.

Molecular Properties

Compound Name9-[(1R,2R)-2-hydroxycyclohexyl]-1H-purin-6-one
PubChem CID135431287
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name9-[(1R,2R)-2-hydroxycyclohexyl]-1H-purin-6-one
SMILESO=c1[nH]cnc2c1ncn2[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C11H14N4O2/c16-8-4-2-1-3-7(8)15-6-14-9-10(15)12-5-13-11(9)17/h5-8,16H,1-4H2,(H,12,13,17)/t7-,8-/m1/s1
InChIKeyMRUIYTLBMWPOQV-HTQZYQBOSA-N
XLogP0.60
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-[(1R,2R)-2-hydroxycyclohexyl]-1H-purin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[(1R,2R)-2-hydroxycyclohexyl]-1H-purin-6-one?
The IUPAC name of 9-[(1R,2R)-2-hydroxycyclohexyl]-1H-purin-6-one (CID 135431287) is 9-[(1R,2R)-2-hydroxycyclohexyl]-1H-purin-6-one.
What is the SMILES notation for 9-[(1R,2R)-2-hydroxycyclohexyl]-1H-purin-6-one?
The canonical SMILES for 9-[(1R,2R)-2-hydroxycyclohexyl]-1H-purin-6-one is O=c1[nH]cnc2c1ncn2[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 9-[(1R,2R)-2-hydroxycyclohexyl]-1H-purin-6-one?
The InChIKey is MRUIYTLBMWPOQV-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H14N4O2/c16-8-4-2-1-3-7(8)15-6-14-9-10(15)12-5-13-11(9)17/h5-8,16H,1-4H2,(H,12,13,17)/t7-,8-/m1/s1.
What are the key properties of 9-[(1R,2R)-2-hydroxycyclohexyl]-1H-purin-6-one?
9-[(1R,2R)-2-hydroxycyclohexyl]-1H-purin-6-one has a molecular weight of 234.26 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1R,2R)-2-hydroxycyclohexyl]-1H-purin-6-one is sourced from PubChem (CID 135431287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).