N'-[2-(dimethylaminomethylideneamino)-7H-purin-6-yl]-N,N-dimethylmethanimidamide

C11H16N8 — CID 91192288

IUPACN'-[2-(dimethylaminomethylideneamino)-7H-purin-6-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nc(/N=C/N(C)C)c2[nH]cnc2n1
InChIInChI=1S/C11H16N8/c1-18(2)6-14-10-8-9(13-5-12-8)16-11(17-10)15-7-19(3)4/h5-7H,1-4H3,(H,12,13,16,17)/b14-6+,15-7?
InChIKeyABOTUYYAJWRINP-HOLUKEDKSA-N
MW260.31 g/mol
LogP0.80
Rot. Bonds4

About N'-[2-(dimethylaminomethylideneamino)-7H-purin-6-yl]-N,N-dimethylmethanimidamide

N'-[2-(dimethylaminomethylideneamino)-7H-purin-6-yl]-N,N-dimethylmethanimidamide (PubChem CID 91192288) has the molecular formula C11H16N8 and a molecular weight of 260.31 g/mol. Its IUPAC name is N'-[2-(dimethylaminomethylideneamino)-7H-purin-6-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[2-(dimethylaminomethylideneamino)-7H-purin-6-yl]-N,N-dimethylmethanimidamide
PubChem CID91192288
Molecular FormulaC11H16N8
Molecular Weight260.31 g/mol
Exact Mass260.15
IUPAC NameN'-[2-(dimethylaminomethylideneamino)-7H-purin-6-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nc(/N=C/N(C)C)c2[nH]cnc2n1
InChIInChI=1S/C11H16N8/c1-18(2)6-14-10-8-9(13-5-12-8)16-11(17-10)15-7-19(3)4/h5-7H,1-4H3,(H,12,13,16,17)/b14-6+,15-7?
InChIKeyABOTUYYAJWRINP-HOLUKEDKSA-N
XLogP0.80
TPSA85.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(6-chloro-7H-purin-2-yl)-N,N-diethylmethanimidamide
CID 19917431
6-(ethylideneamino)-7H-purin-2-amine
CID 174743190
N'-(5-cyano-1H-imidazol-4-yl)-N,N-dimethylmethanimidamide
CID 176894125
ethyl 4-(dimethylaminomethylideneamino)-1H-imidazole-5-carboxylate
CID 68724798
N'-(1H-imidazo[4,5-d]pyridazin-4-yl)-N,N-dimethylmethanimidamide
CID 6399362
[4-(dimethylaminomethylideneamino)-2-[(E)-dimethylaminomethylideneamino]pteridin-6-yl] 4-methylbenzenesulfonate
CID 15385503
4-[(E)-dimethylaminomethylideneamino]-1H-imidazole-5-carboximidoyl cyanide
CID 135745789
N'-[6-(2-chlorophenyl)-2,4-bis(dimethylaminomethylideneamino)pteridin-7-yl]-N,N-dimethylmethanimidamide
CID 54555708
6-chloro-2-nitroso-7H-purine
CID 174878246
2-[(2-chloro-7H-purin-6-yl)oxy]-N,N-dimethylethanamine
CID 104786985
N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide
CID 54387791
2-methyl-1,7-dihydropurin-6-one
CID 135449674

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylaminomethylideneamino)-7H-purin-6-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[2-(dimethylaminomethylideneamino)-7H-purin-6-yl]-N,N-dimethylmethanimidamide (CID 91192288) is N'-[2-(dimethylaminomethylideneamino)-7H-purin-6-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[2-(dimethylaminomethylideneamino)-7H-purin-6-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[2-(dimethylaminomethylideneamino)-7H-purin-6-yl]-N,N-dimethylmethanimidamide is CN(C)C=Nc1nc(/N=C/N(C)C)c2[nH]cnc2n1.
What is the InChIKey of N'-[2-(dimethylaminomethylideneamino)-7H-purin-6-yl]-N,N-dimethylmethanimidamide?
The InChIKey is ABOTUYYAJWRINP-HOLUKEDKSA-N. The full InChI is InChI=1S/C11H16N8/c1-18(2)6-14-10-8-9(13-5-12-8)16-11(17-10)15-7-19(3)4/h5-7H,1-4H3,(H,12,13,16,17)/b14-6+,15-7?.
What are the key properties of N'-[2-(dimethylaminomethylideneamino)-7H-purin-6-yl]-N,N-dimethylmethanimidamide?
N'-[2-(dimethylaminomethylideneamino)-7H-purin-6-yl]-N,N-dimethylmethanimidamide has a molecular weight of 260.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylaminomethylideneamino)-7H-purin-6-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 91192288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).