2-(dimethylamino)-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,3-dimethyl-2H-purin-6-one

C15H25N5O5 — CID 177270655

IUPAC2-(dimethylamino)-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,3-dimethyl-2H-purin-6-one
SMILESCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1N(C)C(N(C)C)N(C)C2=O
InChIInChI=1S/C15H25N5O5/c1-17(2)15-18(3)12-9(13(23)19(15)4)16-7-20(12)14-11(24-5)10(22)8(6-21)25-14/h7-8,10-11,14-15,21-22H,6H2,1-5H3/t8-,10-,11-,14-,15?/m1/s1
InChIKeyMMIUGMHUTIXWFR-HPDNKFCTSA-N
MW355.40 g/mol
LogP-1.48
Rot. Bonds4

About 2-(dimethylamino)-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,3-dimethyl-2H-purin-6-one

2-(dimethylamino)-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,3-dimethyl-2H-purin-6-one (PubChem CID 177270655) has the molecular formula C15H25N5O5 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-(dimethylamino)-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,3-dimethyl-2H-purin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,3-dimethyl-2H-purin-6-one
PubChem CID177270655
Molecular FormulaC15H25N5O5
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC Name2-(dimethylamino)-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,3-dimethyl-2H-purin-6-one
SMILESCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1N(C)C(N(C)C)N(C)C2=O
InChIInChI=1S/C15H25N5O5/c1-17(2)15-18(3)12-9(13(23)19(15)4)16-7-20(12)14-11(24-5)10(22)8(6-21)25-14/h7-8,10-11,14-15,21-22H,6H2,1-5H3/t8-,10-,11-,14-,15?/m1/s1
InChIKeyMMIUGMHUTIXWFR-HPDNKFCTSA-N
XLogP-1.48
TPSA103.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(dimethylamino)-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,3-dimethyl-2H-purin-6-one with MolForge

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Launch Full Analysis

Related Compounds

4-amino-1-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,3,5-triazin-2-one
CID 77227669
2-(dimethylamino)-9-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one
CID 155888907
9-[(2S,3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one
CID 136716934
9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-2-(methylamino)purin-6-one
CID 177270513
9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1-methylpurine-6-thione
CID 86751120
N-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]acetamide
CID 177270494
4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 57300571
4-amino-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 67175693
2-ethoxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-4-one
CID 118149133
2-ethoxy-1-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-4-one
CID 123221779
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 162263889
9-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3H-purine-6-thione
CID 4257533

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,3-dimethyl-2H-purin-6-one?
The IUPAC name of 2-(dimethylamino)-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,3-dimethyl-2H-purin-6-one (CID 177270655) is 2-(dimethylamino)-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,3-dimethyl-2H-purin-6-one.
What is the SMILES notation for 2-(dimethylamino)-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,3-dimethyl-2H-purin-6-one?
The canonical SMILES for 2-(dimethylamino)-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,3-dimethyl-2H-purin-6-one is CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1N(C)C(N(C)C)N(C)C2=O.
What is the InChIKey of 2-(dimethylamino)-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,3-dimethyl-2H-purin-6-one?
The InChIKey is MMIUGMHUTIXWFR-HPDNKFCTSA-N. The full InChI is InChI=1S/C15H25N5O5/c1-17(2)15-18(3)12-9(13(23)19(15)4)16-7-20(12)14-11(24-5)10(22)8(6-21)25-14/h7-8,10-11,14-15,21-22H,6H2,1-5H3/t8-,10-,11-,14-,15?/m1/s1.
What are the key properties of 2-(dimethylamino)-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,3-dimethyl-2H-purin-6-one?
2-(dimethylamino)-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,3-dimethyl-2H-purin-6-one has a molecular weight of 355.40 g/mol, XLogP of -1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,3-dimethyl-2H-purin-6-one is sourced from PubChem (CID 177270655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).