N'-[9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxypurin-2-yl]-N,N-dimethylmethanimidamide

C14H20N6O5 — CID 158729729

IUPACN'-[9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxypurin-2-yl]-N,N-dimethylmethanimidamide
SMILESCOc1nc(N=CN(C)C)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)C1O
InChIInChI=1S/C14H20N6O5/c1-19(2)5-16-14-17-11-8(12(18-14)24-3)15-6-20(11)13-10(23)9(22)7(4-21)25-13/h5-7,9-10,13,21-23H,4H2,1-3H3/t7-,9+,10?,13-/m1/s1
InChIKeyZMZDYKGKYUSAFX-ZIUXOXTBSA-N
MW352.35 g/mol
LogP-1.33
Rot. Bonds5

About N'-[9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxypurin-2-yl]-N,N-dimethylmethanimidamide

N'-[9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxypurin-2-yl]-N,N-dimethylmethanimidamide (PubChem CID 158729729) has the molecular formula C14H20N6O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is N'-[9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxypurin-2-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxypurin-2-yl]-N,N-dimethylmethanimidamide
PubChem CID158729729
Molecular FormulaC14H20N6O5
Molecular Weight352.35 g/mol
Exact Mass352.15
IUPAC NameN'-[9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxypurin-2-yl]-N,N-dimethylmethanimidamide
SMILESCOc1nc(N=CN(C)C)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)C1O
InChIInChI=1S/C14H20N6O5/c1-19(2)5-16-14-17-11-8(12(18-14)24-3)15-6-20(11)13-10(23)9(22)7(4-21)25-13/h5-7,9-10,13,21-23H,4H2,1-3H3/t7-,9+,10?,13-/m1/s1
InChIKeyZMZDYKGKYUSAFX-ZIUXOXTBSA-N
XLogP-1.33
TPSA138.35 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxypurin-2-yl]-N,N-dimethylmethanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59824768
methyl N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxypurin-2-yl]carbamate
CID 23253560
2-[6-(dimethylamino)-2-methylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 162889192
(2R,3R,4S,5R)-2-[2-(dimethylamino)-6-methylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 70539437
4-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxypurin-2-yl]oxybutyl nitrate
CID 177420134
[9-[(2R,3S,5R)-3-(2-cyanoethoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(dimethylaminomethylideneamino)purin-6-yl] 2,4,6-tri(propan-2-yl)benzenesulfonate
CID 91418854
(2R,3R,4S,5R)-2-[2,6-bis(hydroxymethyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11623772
(2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol
CID 148902630
methyl 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylimidazo[4,5-b]pyridine-7-carboxylate
CID 164669102
2-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]guanidine
CID 22086580
(2R,3R,4S,5R)-2-[7-amino-5-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 15086922
(2R,3R,4S,5R)-2-[2-amino-6-(hydroxymethyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11702106

Frequently Asked Questions

What is the IUPAC name of N'-[9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxypurin-2-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxypurin-2-yl]-N,N-dimethylmethanimidamide (CID 158729729) is N'-[9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxypurin-2-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxypurin-2-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxypurin-2-yl]-N,N-dimethylmethanimidamide is COc1nc(N=CN(C)C)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)C1O.
What is the InChIKey of N'-[9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxypurin-2-yl]-N,N-dimethylmethanimidamide?
The InChIKey is ZMZDYKGKYUSAFX-ZIUXOXTBSA-N. The full InChI is InChI=1S/C14H20N6O5/c1-19(2)5-16-14-17-11-8(12(18-14)24-3)15-6-20(11)13-10(23)9(22)7(4-21)25-13/h5-7,9-10,13,21-23H,4H2,1-3H3/t7-,9+,10?,13-/m1/s1.
What are the key properties of N'-[9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxypurin-2-yl]-N,N-dimethylmethanimidamide?
N'-[9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxypurin-2-yl]-N,N-dimethylmethanimidamide has a molecular weight of 352.35 g/mol, XLogP of -1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxypurin-2-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 158729729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).