9-[(3aR,4R,6R,6aR)-4-methyl-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine

C34H35N5O4 — CID 11006354

IUPAC9-[(3aR,4R,6R,6aR)-4-methyl-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine
SMILESC[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@]1(C)O[C@H](COCc2ccccc2)[C@H]2OC(c3ccccc3)O[C@H]21
InChIInChI=1S/C34H35N5O4/c1-23(18-24-12-6-3-7-13-24)38-31-28-32(36-21-35-31)39(22-37-28)34(2)30-29(41-33(42-30)26-16-10-5-11-17-26)27(43-34)20-40-19-25-14-8-4-9-15-25/h3-17,21-23,27,29-30,33H,18-20H2,1-2H3,(H,35,36,38)/t23-,27-,29-,30-,33?,34-/m1/s1
InChIKeyBEOUZFJLHJNTKN-KWKDQVTFSA-N
MW577.69 g/mol
LogP5.64
Rot. Bonds10

About 9-[(3aR,4R,6R,6aR)-4-methyl-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine

9-[(3aR,4R,6R,6aR)-4-methyl-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine (PubChem CID 11006354) has the molecular formula C34H35N5O4 and a molecular weight of 577.69 g/mol. Its IUPAC name is 9-[(3aR,4R,6R,6aR)-4-methyl-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine.

Molecular Properties

Compound Name9-[(3aR,4R,6R,6aR)-4-methyl-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine
PubChem CID11006354
Molecular FormulaC34H35N5O4
Molecular Weight577.69 g/mol
Exact Mass577.27
IUPAC Name9-[(3aR,4R,6R,6aR)-4-methyl-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine
SMILESC[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@]1(C)O[C@H](COCc2ccccc2)[C@H]2OC(c3ccccc3)O[C@H]21
InChIInChI=1S/C34H35N5O4/c1-23(18-24-12-6-3-7-13-24)38-31-28-32(36-21-35-31)39(22-37-28)34(2)30-29(41-33(42-30)26-16-10-5-11-17-26)27(43-34)20-40-19-25-14-8-4-9-15-25/h3-17,21-23,27,29-30,33H,18-20H2,1-2H3,(H,35,36,38)/t23-,27-,29-,30-,33?,34-/m1/s1
InChIKeyBEOUZFJLHJNTKN-KWKDQVTFSA-N
XLogP5.64
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.69
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 9-[(3aR,4R,6R,6aR)-4-methyl-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine with MolForge

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Related Compounds

9-[(3aR,4R,6R,6aR)-4-methyl-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]-N-[(2S)-1-phenylpropan-2-yl]purin-6-amine
CID 11114530
9-[(3aR,4R,6R,6aR)-4-methyl-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]-N-cyclopentylpurin-6-amine
CID 11092634
(3R,4S,5R)-5-(hydroxymethyl)-2-methyl-2-[6-[[(2R)-1-phenylpropan-2-yl]amino]purin-9-yl]oxolane-3,4-diol
CID 46873930
9-phenyl-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine
CID 15693953
(3aR,6aR)-4-methyl-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol;methanethiol
CID 142266651
(2R,3S,4R,5R)-2-(methoxymethyl)-5-[6-[[(2R)-1-phenylpropan-2-yl]amino]purin-9-yl]oxolane-3,4-diol
CID 22986922
9-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(phenylmethoxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-chloropurine
CID 25260175
benzyl N-[9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]carbamate
CID 57327207
6-chloro-9-[(1S,2R,4S,5R,6R)-8,8-dimethyl-5-(phenylmethoxymethyl)-7,9-dioxatricyclo[4.3.0.02,4]nonan-2-yl]purine
CID 10550395
(1R,2R,4R,5S)-2-[6-(benzylamino)purin-9-yl]-6-methoxy-4-(phenylmethoxymethyl)-3-oxabicyclo[3.1.0]hexane-1,5-diol
CID 67906619
1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 57196440
[(2R,3R,4R,5S)-2-(6-benzamidopurin-9-yl)-4,5-bis(phenylmethoxymethyl)oxolan-3-yl] acetate
CID 70364936

Frequently Asked Questions

What is the IUPAC name of 9-[(3aR,4R,6R,6aR)-4-methyl-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine?
The IUPAC name of 9-[(3aR,4R,6R,6aR)-4-methyl-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine (CID 11006354) is 9-[(3aR,4R,6R,6aR)-4-methyl-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine.
What is the SMILES notation for 9-[(3aR,4R,6R,6aR)-4-methyl-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine?
The canonical SMILES for 9-[(3aR,4R,6R,6aR)-4-methyl-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine is C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@]1(C)O[C@H](COCc2ccccc2)[C@H]2OC(c3ccccc3)O[C@H]21.
What is the InChIKey of 9-[(3aR,4R,6R,6aR)-4-methyl-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine?
The InChIKey is BEOUZFJLHJNTKN-KWKDQVTFSA-N. The full InChI is InChI=1S/C34H35N5O4/c1-23(18-24-12-6-3-7-13-24)38-31-28-32(36-21-35-31)39(22-37-28)34(2)30-29(41-33(42-30)26-16-10-5-11-17-26)27(43-34)20-40-19-25-14-8-4-9-15-25/h3-17,21-23,27,29-30,33H,18-20H2,1-2H3,(H,35,36,38)/t23-,27-,29-,30-,33?,34-/m1/s1.
What are the key properties of 9-[(3aR,4R,6R,6aR)-4-methyl-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine?
9-[(3aR,4R,6R,6aR)-4-methyl-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine has a molecular weight of 577.69 g/mol, XLogP of 5.64, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3aR,4R,6R,6aR)-4-methyl-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine is sourced from PubChem (CID 11006354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).