9-[(3R,4S)-4-phenylmethoxyoxolan-3-yl]purin-6-amine

C16H17N5O2 — CID 10638769

IUPAC9-[(3R,4S)-4-phenylmethoxyoxolan-3-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2[C@@H]1COC[C@H]1OCc1ccccc1
InChIInChI=1S/C16H17N5O2/c17-15-14-16(19-9-18-15)21(10-20-14)12-7-22-8-13(12)23-6-11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8H2,(H2,17,18,19)/t12-,13-/m1/s1
InChIKeyXUNRIEDTMAAACH-CHWSQXEVSA-N
MW311.34 g/mol
LogP1.57
Rot. Bonds4

About 9-[(3R,4S)-4-phenylmethoxyoxolan-3-yl]purin-6-amine

9-[(3R,4S)-4-phenylmethoxyoxolan-3-yl]purin-6-amine (PubChem CID 10638769) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 9-[(3R,4S)-4-phenylmethoxyoxolan-3-yl]purin-6-amine.

Molecular Properties

Compound Name9-[(3R,4S)-4-phenylmethoxyoxolan-3-yl]purin-6-amine
PubChem CID10638769
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name9-[(3R,4S)-4-phenylmethoxyoxolan-3-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2[C@@H]1COC[C@H]1OCc1ccccc1
InChIInChI=1S/C16H17N5O2/c17-15-14-16(19-9-18-15)21(10-20-14)12-7-22-8-13(12)23-6-11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8H2,(H2,17,18,19)/t12-,13-/m1/s1
InChIKeyXUNRIEDTMAAACH-CHWSQXEVSA-N
XLogP1.57
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(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
9-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]purin-6-amine
CID 11570129
(2R,4R,5S,6S,7R)-2-(6-aminopurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-one
CID 146028016
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
methyl 2-[[5-(6-aminopurin-9-yl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methylamino]acetate
CID 134459860
[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-bis(phenylmethoxy)phosphoryloxy-5-methyloxolan-3-yl] dibenzyl phosphate
CID 10509405
[(2R,3R)-5-(6-aminopurin-9-yl)-3,4-dimethoxy-2-methyloxolan-2-yl]methyl dibenzyl phosphate
CID 155096118
[(5S,7R)-7-(6-aminopurin-9-yl)-3-phenylmethoxy-2,6-dioxatricyclo[3.2.1.03,8]octan-5-yl]methanol
CID 147658240
9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine
CID 10584868
9-[(2R,4aR,8S,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]purin-6-amine
CID 10713051

Frequently Asked Questions

What is the IUPAC name of 9-[(3R,4S)-4-phenylmethoxyoxolan-3-yl]purin-6-amine?
The IUPAC name of 9-[(3R,4S)-4-phenylmethoxyoxolan-3-yl]purin-6-amine (CID 10638769) is 9-[(3R,4S)-4-phenylmethoxyoxolan-3-yl]purin-6-amine.
What is the SMILES notation for 9-[(3R,4S)-4-phenylmethoxyoxolan-3-yl]purin-6-amine?
The canonical SMILES for 9-[(3R,4S)-4-phenylmethoxyoxolan-3-yl]purin-6-amine is Nc1ncnc2c1ncn2[C@@H]1COC[C@H]1OCc1ccccc1.
What is the InChIKey of 9-[(3R,4S)-4-phenylmethoxyoxolan-3-yl]purin-6-amine?
The InChIKey is XUNRIEDTMAAACH-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H17N5O2/c17-15-14-16(19-9-18-15)21(10-20-14)12-7-22-8-13(12)23-6-11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8H2,(H2,17,18,19)/t12-,13-/m1/s1.
What are the key properties of 9-[(3R,4S)-4-phenylmethoxyoxolan-3-yl]purin-6-amine?
9-[(3R,4S)-4-phenylmethoxyoxolan-3-yl]purin-6-amine has a molecular weight of 311.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3R,4S)-4-phenylmethoxyoxolan-3-yl]purin-6-amine is sourced from PubChem (CID 10638769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).