9-[(1S,2S,5S)-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]purin-6-amine

C19H21N5O — CID 10042585

IUPAC9-[(1S,2S,5S)-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]purin-6-amine
SMILESNc1ncnc2c1ncn2[C@H]1CC[C@]2(COCc3ccccc3)C[C@H]12
InChIInChI=1S/C19H21N5O/c20-17-16-18(22-11-21-17)24(12-23-16)15-6-7-19(8-14(15)19)10-25-9-13-4-2-1-3-5-13/h1-5,11-12,14-15H,6-10H2,(H2,20,21,22)/t14-,15+,19-/m1/s1
InChIKeyZOSUWNROQNHBAI-ZRGWGRIASA-N
MW335.41 g/mol
LogP2.97
Rot. Bonds5

About 9-[(1S,2S,5S)-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]purin-6-amine

9-[(1S,2S,5S)-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]purin-6-amine (PubChem CID 10042585) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 9-[(1S,2S,5S)-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]purin-6-amine.

Molecular Properties

Compound Name9-[(1S,2S,5S)-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]purin-6-amine
PubChem CID10042585
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name9-[(1S,2S,5S)-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]purin-6-amine
SMILESNc1ncnc2c1ncn2[C@H]1CC[C@]2(COCc3ccccc3)C[C@H]12
InChIInChI=1S/C19H21N5O/c20-17-16-18(22-11-21-17)24(12-23-16)15-6-7-19(8-14(15)19)10-25-9-13-4-2-1-3-5-13/h1-5,11-12,14-15H,6-10H2,(H2,20,21,22)/t14-,15+,19-/m1/s1
InChIKeyZOSUWNROQNHBAI-ZRGWGRIASA-N
XLogP2.97
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-[(1S,2S,5S)-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]purin-6-amine with MolForge

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Related Compounds

6-chloro-7-[(1S,2S,5S)-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]purine
CID 10428256
9-[(3R,4S)-4-phenylmethoxyoxolan-3-yl]purin-6-amine
CID 10638769
9-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]purin-6-amine
CID 11570129
(1S,2S,3S,5S)-5-(6-aminopurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol
CID 10837060
[(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(phenylmethoxy)cyclopentyl]methanol
CID 10433651
[(2R,3R)-5-(6-aminopurin-9-yl)-3,4-dimethoxy-2-methyloxolan-2-yl]methyl dibenzyl phosphate
CID 155096118
[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-bis(phenylmethoxy)phosphoryloxy-5-methyloxolan-3-yl] dibenzyl phosphate
CID 10509405
9-[(R)-[(1R,2S,5R)-2,5-dimethyl-1-(phenylmethoxymethyl)cyclohex-3-en-1-yl]-phenylmethoxymethyl]purin-6-amine
CID 71511975
[(5S,7R)-7-(6-aminopurin-9-yl)-3-phenylmethoxy-2,6-dioxatricyclo[3.2.1.03,8]octan-5-yl]methanol
CID 147658240
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[(1-phenylcyclopropyl)methoxymethyl]oxolane-3,4-diol
CID 22838695
9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine
CID 10584868
9-[(3aR,6S,6aS)-5-chloro-2,2-dimethyl-4-(phenylmethoxymethyl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]purin-6-amine
CID 51003214

Frequently Asked Questions

What is the IUPAC name of 9-[(1S,2S,5S)-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]purin-6-amine?
The IUPAC name of 9-[(1S,2S,5S)-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]purin-6-amine (CID 10042585) is 9-[(1S,2S,5S)-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]purin-6-amine.
What is the SMILES notation for 9-[(1S,2S,5S)-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]purin-6-amine?
The canonical SMILES for 9-[(1S,2S,5S)-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]purin-6-amine is Nc1ncnc2c1ncn2[C@H]1CC[C@]2(COCc3ccccc3)C[C@H]12.
What is the InChIKey of 9-[(1S,2S,5S)-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]purin-6-amine?
The InChIKey is ZOSUWNROQNHBAI-ZRGWGRIASA-N. The full InChI is InChI=1S/C19H21N5O/c20-17-16-18(22-11-21-17)24(12-23-16)15-6-7-19(8-14(15)19)10-25-9-13-4-2-1-3-5-13/h1-5,11-12,14-15H,6-10H2,(H2,20,21,22)/t14-,15+,19-/m1/s1.
What are the key properties of 9-[(1S,2S,5S)-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]purin-6-amine?
9-[(1S,2S,5S)-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]purin-6-amine has a molecular weight of 335.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1S,2S,5S)-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]purin-6-amine is sourced from PubChem (CID 10042585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).