6-amino-1-cyclohexyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-one

C16H23N5O5 — CID 14827662

IUPAC6-amino-1-cyclohexyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-one
SMILESNc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2nc(=O)n1C1CCCCC1
InChIInChI=1S/C16H23N5O5/c17-13-10-14(19-16(25)21(13)8-4-2-1-3-5-8)20(7-18-10)15-12(24)11(23)9(6-22)26-15/h7-9,11-12,15,22-24H,1-6,17H2/t9-,11-,12-,15-/m1/s1
InChIKeyACGOGNIHVVNFAR-SDBHATRESA-N
MW365.39 g/mol
LogP-0.71
Rot. Bonds3

About 6-amino-1-cyclohexyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-one

6-amino-1-cyclohexyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-one (PubChem CID 14827662) has the molecular formula C16H23N5O5 and a molecular weight of 365.39 g/mol. Its IUPAC name is 6-amino-1-cyclohexyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-one.

Molecular Properties

Compound Name6-amino-1-cyclohexyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-one
PubChem CID14827662
Molecular FormulaC16H23N5O5
Molecular Weight365.39 g/mol
Exact Mass365.17
IUPAC Name6-amino-1-cyclohexyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-one
SMILESNc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2nc(=O)n1C1CCCCC1
InChIInChI=1S/C16H23N5O5/c17-13-10-14(19-16(25)21(13)8-4-2-1-3-5-8)20(7-18-10)15-12(24)11(23)9(6-22)26-15/h7-9,11-12,15,22-24H,1-6,17H2/t9-,11-,12-,15-/m1/s1
InChIKeyACGOGNIHVVNFAR-SDBHATRESA-N
XLogP-0.71
TPSA148.65 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 6-amino-1-cyclohexyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-one with MolForge

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Related Compounds

[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopurin-1-yl]phosphonic acid
CID 174683369
(2R,3R,4S,5R)-2-[2-amino-6-(cycloheptylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 10571693
(3R,4S,5R)-2-[2-amino-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46874172
2-(6-amino-2-cyclohexyloxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 14842853
6-amino-9-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one
CID 59801633
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one
CID 158990241
(2R,3R,4S,5R)-2-[2-amino-6-(cyclohexylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 10738426
(2R,3R,4S,5R)-2-[2,6-bis(cycloheptylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585185
(3R,5R)-2-(6-amino-2-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59408599
(2R,5R)-2-(6-amino-2-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 57128578
(4S,5R)-2-(6-amino-2-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59760572
2-[6-amino-2-(2-cyclohexylethoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 14842857

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-cyclohexyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-one?
The IUPAC name of 6-amino-1-cyclohexyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-one (CID 14827662) is 6-amino-1-cyclohexyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-one.
What is the SMILES notation for 6-amino-1-cyclohexyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-one?
The canonical SMILES for 6-amino-1-cyclohexyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-one is Nc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2nc(=O)n1C1CCCCC1.
What is the InChIKey of 6-amino-1-cyclohexyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-one?
The InChIKey is ACGOGNIHVVNFAR-SDBHATRESA-N. The full InChI is InChI=1S/C16H23N5O5/c17-13-10-14(19-16(25)21(13)8-4-2-1-3-5-8)20(7-18-10)15-12(24)11(23)9(6-22)26-15/h7-9,11-12,15,22-24H,1-6,17H2/t9-,11-,12-,15-/m1/s1.
What are the key properties of 6-amino-1-cyclohexyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-one?
6-amino-1-cyclohexyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-one has a molecular weight of 365.39 g/mol, XLogP of -0.71, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-cyclohexyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-one is sourced from PubChem (CID 14827662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).