[(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(phenylmethoxy)cyclopentyl]methanol

C25H27N5O3 — CID 10433651

IUPAC[(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(phenylmethoxy)cyclopentyl]methanol
SMILESNc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C25H27N5O3/c26-24-21-25(28-15-27-24)30(16-29-21)20-11-19(12-31)22(32-13-17-7-3-1-4-8-17)23(20)33-14-18-9-5-2-6-10-18/h1-10,15-16,19-20,22-23,31H,11-14H2,(H2,26,27,28)/t19-,20-,22-,23-/m1/s1
InChIKeyWNRFNXPPYCBRRI-OHUMZHCVSA-N
MW445.52 g/mol
LogP3.13
Rot. Bonds8

About [(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(phenylmethoxy)cyclopentyl]methanol

[(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(phenylmethoxy)cyclopentyl]methanol (PubChem CID 10433651) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is [(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(phenylmethoxy)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(phenylmethoxy)cyclopentyl]methanol
PubChem CID10433651
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name[(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(phenylmethoxy)cyclopentyl]methanol
SMILESNc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C25H27N5O3/c26-24-21-25(28-15-27-24)30(16-29-21)20-11-19(12-31)22(32-13-17-7-3-1-4-8-17)23(20)33-14-18-9-5-2-6-10-18/h1-10,15-16,19-20,22-23,31H,11-14H2,(H2,26,27,28)/t19-,20-,22-,23-/m1/s1
InChIKeyWNRFNXPPYCBRRI-OHUMZHCVSA-N
XLogP3.13
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(phenylmethoxy)cyclopentyl]methanol with MolForge

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Related Compounds

[4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 10105922
[(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 101208456
9-[(3R,4S)-4-phenylmethoxyoxolan-3-yl]purin-6-amine
CID 10638769
[(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
CID 10562568
(1S,2S,3S,5S)-5-(6-aminopurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol
CID 10837060
[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
CID 15332075
9-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]purin-6-amine
CID 11570129
9-[(1S,2S,5S)-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]purin-6-amine
CID 10042585
2-[[5-(6-aminopurin-9-yl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methylamino]acetic acid
CID 134460357
[(5S,7R)-7-(6-aminopurin-9-yl)-3-phenylmethoxy-2,6-dioxatricyclo[3.2.1.03,8]octan-5-yl]methanol
CID 147658240
methyl 2-[[5-(6-aminopurin-9-yl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methylamino]acetate
CID 134459860
(2R,4R,5S,6S,7R)-2-(6-aminopurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-one
CID 146028016

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(phenylmethoxy)cyclopentyl]methanol?
The IUPAC name of [(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(phenylmethoxy)cyclopentyl]methanol (CID 10433651) is [(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(phenylmethoxy)cyclopentyl]methanol.
What is the SMILES notation for [(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(phenylmethoxy)cyclopentyl]methanol?
The canonical SMILES for [(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(phenylmethoxy)cyclopentyl]methanol is Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of [(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(phenylmethoxy)cyclopentyl]methanol?
The InChIKey is WNRFNXPPYCBRRI-OHUMZHCVSA-N. The full InChI is InChI=1S/C25H27N5O3/c26-24-21-25(28-15-27-24)30(16-29-21)20-11-19(12-31)22(32-13-17-7-3-1-4-8-17)23(20)33-14-18-9-5-2-6-10-18/h1-10,15-16,19-20,22-23,31H,11-14H2,(H2,26,27,28)/t19-,20-,22-,23-/m1/s1.
What are the key properties of [(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(phenylmethoxy)cyclopentyl]methanol?
[(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(phenylmethoxy)cyclopentyl]methanol has a molecular weight of 445.52 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(phenylmethoxy)cyclopentyl]methanol is sourced from PubChem (CID 10433651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).