(1R,2S,3R,4R,5R,7S)-3-(6-aminopurin-9-yl)bicyclo[2.2.1]heptane-1,2,5,7-tetrol

C12H15N5O4 — CID 18388896

IUPAC(1R,2S,3R,4R,5R,7S)-3-(6-aminopurin-9-yl)bicyclo[2.2.1]heptane-1,2,5,7-tetrol
SMILESNc1ncnc2c1ncn2[C@@H]1[C@@H]2[C@H](O)C[C@@](O)([C@H]2O)[C@H]1O
InChIInChI=1S/C12H15N5O4/c13-10-6-11(15-2-14-10)17(3-16-6)7-5-4(18)1-12(21,8(5)19)9(7)20/h2-5,7-9,18-21H,1H2,(H2,13,14,15)/t4-,5+,7-,8+,9+,12-/m1/s1
InChIKeyXAAGPRPGHZXIDI-QJDNARSMSA-N
MW293.28 g/mol
LogP-2.20
Rot. Bonds1

About (1R,2S,3R,4R,5R,7S)-3-(6-aminopurin-9-yl)bicyclo[2.2.1]heptane-1,2,5,7-tetrol

(1R,2S,3R,4R,5R,7S)-3-(6-aminopurin-9-yl)bicyclo[2.2.1]heptane-1,2,5,7-tetrol (PubChem CID 18388896) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is (1R,2S,3R,4R,5R,7S)-3-(6-aminopurin-9-yl)bicyclo[2.2.1]heptane-1,2,5,7-tetrol.

Molecular Properties

Compound Name(1R,2S,3R,4R,5R,7S)-3-(6-aminopurin-9-yl)bicyclo[2.2.1]heptane-1,2,5,7-tetrol
PubChem CID18388896
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name(1R,2S,3R,4R,5R,7S)-3-(6-aminopurin-9-yl)bicyclo[2.2.1]heptane-1,2,5,7-tetrol
SMILESNc1ncnc2c1ncn2[C@@H]1[C@@H]2[C@H](O)C[C@@](O)([C@H]2O)[C@H]1O
InChIInChI=1S/C12H15N5O4/c13-10-6-11(15-2-14-10)17(3-16-6)7-5-4(18)1-12(21,8(5)19)9(7)20/h2-5,7-9,18-21H,1H2,(H2,13,14,15)/t4-,5+,7-,8+,9+,12-/m1/s1
InChIKeyXAAGPRPGHZXIDI-QJDNARSMSA-N
XLogP-2.20
TPSA150.54 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 5-2.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (1R,2S,3R,4R,5R,7S)-3-(6-aminopurin-9-yl)bicyclo[2.2.1]heptane-1,2,5,7-tetrol 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

(1S,2S,3R,4R)-3-(6-aminopurin-9-yl)-6-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-ol
CID 24786947
(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783
(1S,4R)-4-(6-aminopurin-9-yl)-3-[(4-methoxyphenyl)methoxy]bicyclo[3.1.0]hexane-1,2-diol
CID 71052653
2-[(4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxy-1-bicyclo[3.1.0]hexanyl]ethenylphosphonic acid
CID 123622525
(1R,2S,4R,5S)-4-(6-aminopurin-9-yl)-1-(hydroxymethyl)-3-methylbicyclo[3.1.0]hexane-2,3-diol
CID 59157757
4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol
CID 19047346
(1R,2S,3R,5R)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)-3-methylcyclopentane-1,2-diol
CID 102512363
(1S,3R,4R,5S)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-4-ol
CID 11425524
(1R,3R,4R,5S)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexane-4,5,6-triol
CID 163916891
4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol
CID 144745895
CID 135030783
CID 135030783
(1R,2R,4R,5S)-4-(6-aminopurin-9-yl)-1-(hydroxymethyl)-3-methylidenebicyclo[3.1.0]hexan-2-ol
CID 59157831

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R,5R,7S)-3-(6-aminopurin-9-yl)bicyclo[2.2.1]heptane-1,2,5,7-tetrol?
The IUPAC name of (1R,2S,3R,4R,5R,7S)-3-(6-aminopurin-9-yl)bicyclo[2.2.1]heptane-1,2,5,7-tetrol (CID 18388896) is (1R,2S,3R,4R,5R,7S)-3-(6-aminopurin-9-yl)bicyclo[2.2.1]heptane-1,2,5,7-tetrol.
What is the SMILES notation for (1R,2S,3R,4R,5R,7S)-3-(6-aminopurin-9-yl)bicyclo[2.2.1]heptane-1,2,5,7-tetrol?
The canonical SMILES for (1R,2S,3R,4R,5R,7S)-3-(6-aminopurin-9-yl)bicyclo[2.2.1]heptane-1,2,5,7-tetrol is Nc1ncnc2c1ncn2[C@@H]1[C@@H]2[C@H](O)C[C@@](O)([C@H]2O)[C@H]1O.
What is the InChIKey of (1R,2S,3R,4R,5R,7S)-3-(6-aminopurin-9-yl)bicyclo[2.2.1]heptane-1,2,5,7-tetrol?
The InChIKey is XAAGPRPGHZXIDI-QJDNARSMSA-N. The full InChI is InChI=1S/C12H15N5O4/c13-10-6-11(15-2-14-10)17(3-16-6)7-5-4(18)1-12(21,8(5)19)9(7)20/h2-5,7-9,18-21H,1H2,(H2,13,14,15)/t4-,5+,7-,8+,9+,12-/m1/s1.
What are the key properties of (1R,2S,3R,4R,5R,7S)-3-(6-aminopurin-9-yl)bicyclo[2.2.1]heptane-1,2,5,7-tetrol?
(1R,2S,3R,4R,5R,7S)-3-(6-aminopurin-9-yl)bicyclo[2.2.1]heptane-1,2,5,7-tetrol has a molecular weight of 293.28 g/mol, XLogP of -2.20, 1 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R,5R,7S)-3-(6-aminopurin-9-yl)bicyclo[2.2.1]heptane-1,2,5,7-tetrol is sourced from PubChem (CID 18388896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).