Reversine

C₂₁H₂₇N₇OCAS 656820-32-5393.50 g/mol

Open in Covalent MOL file

Ether Secondary amine Tertiary amine

Properties

Molecular formula: C₂₁H₂₇N₇O
Molar mass: 393.50 g/mol
Exact mass: 393.2277 Da
Melting point: 305 °C (decomposes)
logP: 3.10Crippen estimate
Polar surface area: 94.2 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

656820-32-5

SMILES

c1nc2c(=NC3CCCCC3)[nH]c(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1

InChIKey

ZFLJHSQHILSNCM-UHFFFAOYSA-N

InChI

InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

9H-Purine-2,6-diamine, N6-cyclohexyl-N2-[4-(4-morpholinyl)phenyl]-
1H-Purine-2,6-diamine, N6-cyclohexyl-N2-[4-(4-morpholinyl)phenyl]-
N6-Cyclohexyl-N2-[4-(4-morpholinyl)phenyl]-9H-purine-2,6-diamine

Work with Reversine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Purmorphamine483367-10-837 % similar Cyc-116693228-63-632 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia