9-[(2R,5R)-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]purin-6-amine

C19H31N5O4 — CID 174086586

IUPAC9-[(2R,5R)-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]purin-6-amine
SMILESCOC1C(OC(C)(C)C)[C@@H](COC(C)(C)C)O[C@H]1n1cnc2c(N)ncnc21
InChIInChI=1S/C19H31N5O4/c1-18(2,3)26-8-11-13(28-19(4,5)6)14(25-7)17(27-11)24-10-23-12-15(20)21-9-22-16(12)24/h9-11,13-14,17H,8H2,1-7H3,(H2,20,21,22)/t11-,13?,14?,17-/m1/s1
InChIKeyJVLSOLYNQSCOQT-PKNZVCHQSA-N
MW393.49 g/mol
LogP2.32
Rot. Bonds5

About 9-[(2R,5R)-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]purin-6-amine

9-[(2R,5R)-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]purin-6-amine (PubChem CID 174086586) has the molecular formula C19H31N5O4 and a molecular weight of 393.49 g/mol. Its IUPAC name is 9-[(2R,5R)-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]purin-6-amine.

Molecular Properties

Compound Name9-[(2R,5R)-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]purin-6-amine
PubChem CID174086586
Molecular FormulaC19H31N5O4
Molecular Weight393.49 g/mol
Exact Mass393.24
IUPAC Name9-[(2R,5R)-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]purin-6-amine
SMILESCOC1C(OC(C)(C)C)[C@@H](COC(C)(C)C)O[C@H]1n1cnc2c(N)ncnc21
InChIInChI=1S/C19H31N5O4/c1-18(2,3)26-8-11-13(28-19(4,5)6)14(25-7)17(27-11)24-10-23-12-15(20)21-9-22-16(12)24/h9-11,13-14,17H,8H2,1-7H3,(H2,20,21,22)/t11-,13?,14?,17-/m1/s1
InChIKeyJVLSOLYNQSCOQT-PKNZVCHQSA-N
XLogP2.32
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 9-[(2R,5R)-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]purin-6-amine 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

9-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
CID 56634843
[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dimethoxyoxolan-2-yl]methanol
CID 6481828
(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-methoxy-5-(methoxymethyl)oxolan-3-ol
CID 58319615
9-[4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
CID 76759659
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxolan-3-ol
CID 11069295
5-(6-aminopurin-9-yl)-4-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 19076332
9-[(2R,3R,4R,5R)-3-(2-ethoxyethoxymethoxy)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
CID 155196415
(2R,3S,4S,5R,6R,7R)-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methoxyoxepane-3,4,5-triol
CID 58940512
9-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(morpholin-4-ylmethyl)oxolan-2-yl]purin-6-amine
CID 162155117
[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-oxo-sulfanylphosphanium
CID 135178523
[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl dihydrogen phosphate
CID 172638487
[(2R,3S,4R,5R)-3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl acetate
CID 13109686

Frequently Asked Questions

What is the IUPAC name of 9-[(2R,5R)-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]purin-6-amine?
The IUPAC name of 9-[(2R,5R)-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]purin-6-amine (CID 174086586) is 9-[(2R,5R)-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]purin-6-amine.
What is the SMILES notation for 9-[(2R,5R)-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]purin-6-amine?
The canonical SMILES for 9-[(2R,5R)-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]purin-6-amine is COC1C(OC(C)(C)C)[C@@H](COC(C)(C)C)O[C@H]1n1cnc2c(N)ncnc21.
What is the InChIKey of 9-[(2R,5R)-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]purin-6-amine?
The InChIKey is JVLSOLYNQSCOQT-PKNZVCHQSA-N. The full InChI is InChI=1S/C19H31N5O4/c1-18(2,3)26-8-11-13(28-19(4,5)6)14(25-7)17(27-11)24-10-23-12-15(20)21-9-22-16(12)24/h9-11,13-14,17H,8H2,1-7H3,(H2,20,21,22)/t11-,13?,14?,17-/m1/s1.
What are the key properties of 9-[(2R,5R)-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]purin-6-amine?
9-[(2R,5R)-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]purin-6-amine has a molecular weight of 393.49 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,5R)-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]purin-6-amine is sourced from PubChem (CID 174086586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).