1-Amino-6-Cyclohex-3-Enylmethyloxypurine

Substructure search Find similar structures

Basic information

CAS: 872556-74-6
Standard SMILES: Nc1cc2[nH]cnc2c(OCC2CCCCC2)n1
InChIKey: VPUIDVRYMVIXGO-UHFFFAOYSA-N
Molecular formula: C13H18N4O
Average molar mass: 246.31 g/mol
Monoisotopic mass: 246.14806121

Names & identifiers

Preferred name: 1-Amino-6-Cyclohex-3-Enylmethyloxypurine
IUPAC: 4-(cyclohexylmethoxy)-1H-imidazo[4,5-c]pyridin-6-amine

Names & synonyms

4-(cyclohexylmethoxy)-1H-imidazo[4,5-c]pyridin-6-amine1-AMINO-6-CYCLOHEX-3-ENYLMETHYLOXYPURINE872556-74-6DTXSID903322064-(cyclohexylmethoxy)-1H-imidazo(4,5-c)pyridin-6-amineRefChem:74886DTXCID90283300T9B8HV823ADB02603PD007829NS00071624Q27093573

Show more names

4-(Cyclohexylmethoxy)-3H-imidazo[4,5-c]pyridin-6-amine3H-Imidazo[4,5-c]pyridin-6-amine, 4-(cyclohexylmethoxy)-

Database identifiers

CAS: 872556-74-6
PubChem CID: 445967
DTXSID: DTXSID90332206
UNII: T9B8HV823A

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 76.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 270

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…