(+-)-9-(2,3-Di(hydroxyethyl)cyclobutyl)-2,6-diaminopurine

HCID 451667

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Basic information

CAS: 126265-10-9
Standard SMILES: Nc1nc(N)c2ncn([C@@H]3C[C@H](CO)[C@H]3CO)c2n1
InChIKey: BTJNZRDKZZGBFM-FSDSQADBSA-N
Molecular formula: C11H16N6O2
Average molar mass: 264.28 g/mol
Monoisotopic mass: 264.13347377

Names & identifiers

Preferred name: (+-)-9-(2,3-Di(hydroxyethyl)cyclobutyl)-2,6-diaminopurine
IUPAC: [(1S,2R,3R)-3-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol

Names & synonyms

2-Aminocyclobut-A(+-)-2-Amino-cyclobut-A126265-10-9(+-)-9-(2,3-Di(hydroxyethyl)cyclobutyl)-2,6-diaminopurine1,2-Cyclobutanedimethanol, 3-(2,6-diamino-9H-purin-9-yl)-, (1alpha,2beta,3alpha)-1,2-Cyclobutanedimethanol, 3-(2,6-diamino-9H-purin-9-yl)-, (1alpha,2beta,3alpha)-(1)-(+/-)-2-Amino-cyclobut-ASCHEMBL8537728DTXSID00925486[(1S,2R,3R)-3-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol(+/-)-9-[2,3-Di(hydroxyethyl)cyclobutyl]-2,6-diaminopurine1,2-Cyclobutanedimethanol, 3-(2,6-diamino-9H-purin-9-yl)-, (1a,2b,3a)-

Show more names

[3-(6-Amino-2-imino-1,2-dihydro-9H-purin-9-yl)cyclobutane-1,2-diyl]dimethanol1,2-Cyclobutanedimethanol, 3-(2,6-diamino-9H-purin-9-yl)-, (1a,2b,3a)-(1)-[(1S,2R,3R)-3-(6-Amino-2-imino-1,2-dihydro-9H-purin-9-yl)cyclobutane-1,2-diyl]dimethanol

Database identifiers

CAS: 126265-10-9
PubChem CID: 451667

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 136 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 332

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