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

C30H33N5O4 — CID 11092634

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-cyclopentylpurin-6-amine
SMILESC[C@@]1(n2cnc3c(NC4CCCC4)ncnc32)O[C@H](COCc2ccccc2)[C@H]2OC(c3ccccc3)O[C@H]21
InChIInChI=1S/C30H33N5O4/c1-30(35-19-33-24-27(31-18-32-28(24)35)34-22-14-8-9-15-22)26-25(37-29(38-26)21-12-6-3-7-13-21)23(39-30)17-36-16-20-10-4-2-5-11-20/h2-7,10-13,18-19,22-23,25-26,29H,8-9,14-17H2,1H3,(H,31,32,34)/t23-,25-,26-,29?,30-/m1/s1
InChIKeyIMULFFSAGDAPHY-PAALVHEWSA-N
MW527.63 g/mol
LogP4.95
Rot. Bonds8

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-cyclopentylpurin-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-cyclopentylpurin-6-amine (PubChem CID 11092634) has the molecular formula C30H33N5O4 and a molecular weight of 527.63 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-cyclopentylpurin-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-cyclopentylpurin-6-amine
PubChem CID11092634
Molecular FormulaC30H33N5O4
Molecular Weight527.63 g/mol
Exact Mass527.25
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-cyclopentylpurin-6-amine
SMILESC[C@@]1(n2cnc3c(NC4CCCC4)ncnc32)O[C@H](COCc2ccccc2)[C@H]2OC(c3ccccc3)O[C@H]21
InChIInChI=1S/C30H33N5O4/c1-30(35-19-33-24-27(31-18-32-28(24)35)34-22-14-8-9-15-22)26-25(37-29(38-26)21-12-6-3-7-13-21)23(39-30)17-36-16-20-10-4-2-5-11-20/h2-7,10-13,18-19,22-23,25-26,29H,8-9,14-17H2,1H3,(H,31,32,34)/t23-,25-,26-,29?,30-/m1/s1
InChIKeyIMULFFSAGDAPHY-PAALVHEWSA-N
XLogP4.95
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.63
LogP ≤ 54.95
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-cyclopentylpurin-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-[(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
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
(3aR,6aR)-4-methyl-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol;methanethiol
CID 142266651
9-[(4R,6R,6aS)-2,2-dimethyl-6-[(E)-2-phenylmethoxyethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-cyclopentylpurin-6-amine
CID 58618537
9-[(3aS,4R,6R)-2,2-dimethyl-6-(2-phenylmethoxyethenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-cyclopentylpurin-6-amine
CID 91336619
9-benzyl-N-cyclopropylpurin-6-amine
CID 14022446
7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-N-cyclopentylimidazo[2,1-f][1,2,4]triazin-4-amine
CID 142613244
4-[(3aR,6R,6aR)-4-[6-(cyclopentylamino)purin-9-yl]-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]phenol
CID 71094087
N-cyclopentyl-9-(6-ethynyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl)purin-6-amine
CID 91361805
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
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

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-cyclopentylpurin-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-cyclopentylpurin-6-amine (CID 11092634) 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-cyclopentylpurin-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-cyclopentylpurin-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-cyclopentylpurin-6-amine is C[C@@]1(n2cnc3c(NC4CCCC4)ncnc32)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-cyclopentylpurin-6-amine?
The InChIKey is IMULFFSAGDAPHY-PAALVHEWSA-N. The full InChI is InChI=1S/C30H33N5O4/c1-30(35-19-33-24-27(31-18-32-28(24)35)34-22-14-8-9-15-22)26-25(37-29(38-26)21-12-6-3-7-13-21)23(39-30)17-36-16-20-10-4-2-5-11-20/h2-7,10-13,18-19,22-23,25-26,29H,8-9,14-17H2,1H3,(H,31,32,34)/t23-,25-,26-,29?,30-/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-cyclopentylpurin-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-cyclopentylpurin-6-amine has a molecular weight of 527.63 g/mol, XLogP of 4.95, 8 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-cyclopentylpurin-6-amine is sourced from PubChem (CID 11092634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).