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

C18H19N5O3 — CID 10713051

IUPAC9-[(2R,4aR,8S,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2[C@H]1CCO[C@@H]2CO[C@@H](c3ccccc3)O[C@H]21
InChIInChI=1S/C18H19N5O3/c19-16-14-17(21-9-20-16)23(10-22-14)12-6-7-24-13-8-25-18(26-15(12)13)11-4-2-1-3-5-11/h1-5,9-10,12-13,15,18H,6-8H2,(H2,19,20,21)/t12-,13+,15-,18+/m0/s1
InChIKeyRROHVRJVJKLJQH-SCGCMHLBSA-N
MW353.38 g/mol
LogP1.85
Rot. Bonds2

About 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

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 (PubChem CID 10713051) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[(2R,4aR,8S,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]purin-6-amine
PubChem CID10713051
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name9-[(2R,4aR,8S,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2[C@H]1CCO[C@@H]2CO[C@@H](c3ccccc3)O[C@H]21
InChIInChI=1S/C18H19N5O3/c19-16-14-17(21-9-20-16)23(10-22-14)12-6-7-24-13-8-25-18(26-15(12)13)11-4-2-1-3-5-11/h1-5,9-10,12-13,15,18H,6-8H2,(H2,19,20,21)/t12-,13+,15-,18+/m0/s1
InChIKeyRROHVRJVJKLJQH-SCGCMHLBSA-N
XLogP1.85
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

(2R,4aR,7S,8S,8aS)-8-(6-aminopurin-9-yl)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 10571103
9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine
CID 10584868
N-[9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-yl]benzamide
CID 58060808
(4R)-3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol
CID 135258372
(2R,4aR,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 143765691
(3S,3aR,6R,6aS)-3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-thiol
CID 59901097
3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;dihydrochloride
CID 23209333
6-chloro-9-[(1S,2R,3R,7R,8R,10R)-2,5,5-trimethyl-13-phenyl-4,6,9,12,14-pentaoxatricyclo[8.4.0.03,7]tetradecan-8-yl]purine
CID 58940538
9-[(4aR,6S,7aR)-2,2-diphenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxastannin-6-yl]purin-6-amine
CID 125125739
9-[(2R,4aR,7R,8R,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2-amino-1H-purin-6-one
CID 135531302
6-(6-aminopurin-9-yl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol
CID 142072673
9-[(3R,4S)-4-phenylmethoxyoxolan-3-yl]purin-6-amine
CID 10638769

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1ncnc2c1ncn2[C@H]1CCO[C@@H]2CO[C@@H](c3ccccc3)O[C@H]21.
What is the InChIKey of 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?
The InChIKey is RROHVRJVJKLJQH-SCGCMHLBSA-N. The full InChI is InChI=1S/C18H19N5O3/c19-16-14-17(21-9-20-16)23(10-22-14)12-6-7-24-13-8-25-18(26-15(12)13)11-4-2-1-3-5-11/h1-5,9-10,12-13,15,18H,6-8H2,(H2,19,20,21)/t12-,13+,15-,18+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 353.38 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10713051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).