[(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol

C16H23N5O2 — CID 54592375

IUPAC[(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
SMILESOC[C@H]1CC[C@H](n2cnc3c(NC4CCCCC4)ncnc32)O1
InChIInChI=1S/C16H23N5O2/c22-8-12-6-7-13(23-12)21-10-19-14-15(17-9-18-16(14)21)20-11-4-2-1-3-5-11/h9-13,22H,1-8H2,(H,17,18,20)/t12-,13-/m1/s1
InChIKeyVNLBSPUULCIVCQ-CHWSQXEVSA-N
MW317.39 g/mol
LogP2.24
Rot. Bonds4

About [(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol

[(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol (PubChem CID 54592375) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is [(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
PubChem CID54592375
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name[(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
SMILESOC[C@H]1CC[C@H](n2cnc3c(NC4CCCCC4)ncnc32)O1
InChIInChI=1S/C16H23N5O2/c22-8-12-6-7-13(23-12)21-10-19-14-15(17-9-18-16(14)21)20-11-4-2-1-3-5-11/h9-13,22H,1-8H2,(H,17,18,20)/t12-,13-/m1/s1
InChIKeyVNLBSPUULCIVCQ-CHWSQXEVSA-N
XLogP2.24
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S,5R)-5-(6-hydrazinylpurin-9-yl)oxolan-2-yl]methanol
CID 135258315
[(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 56967848
S-[[5-[6-(cyclopentylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine
CID 170721866
[5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol
CID 142808553
[(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol
CID 142470459
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
[(2S,5S)-5-(6-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 67868000
(2R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 56995921
[(1R,2R,4R,5R)-4-[6-(cyclopentylamino)purin-9-yl]-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 10543507
N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]henicosanamide
CID 139604643
N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]octadecanamide
CID 139604638
N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]tridecanamide
CID 139604655

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol?
The IUPAC name of [(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol (CID 54592375) is [(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol.
What is the SMILES notation for [(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol?
The canonical SMILES for [(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol is OC[C@H]1CC[C@H](n2cnc3c(NC4CCCCC4)ncnc32)O1.
What is the InChIKey of [(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol?
The InChIKey is VNLBSPUULCIVCQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H23N5O2/c22-8-12-6-7-13(23-12)21-10-19-14-15(17-9-18-16(14)21)20-11-4-2-1-3-5-11/h9-13,22H,1-8H2,(H,17,18,20)/t12-,13-/m1/s1.
What are the key properties of [(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol?
[(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol has a molecular weight of 317.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol is sourced from PubChem (CID 54592375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).