9-[(3aR,4R,6R,6aR)-6-[(dimethylamino)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4,5-dihydropurin-6-amine

C15H24N6O3 — CID 10806793

IUPAC9-[(3aR,4R,6R,6aR)-6-[(dimethylamino)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4,5-dihydropurin-6-amine
SMILESCN(C)C[C@H]1O[C@@H](N2C=NC3C(N)=NC=NC32)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C15H24N6O3/c1-15(2)23-10-8(5-20(3)4)22-14(11(10)24-15)21-7-19-9-12(16)17-6-18-13(9)21/h6-11,13-14H,5H2,1-4H3,(H2,16,17,18)/t8-,9?,10-,11-,13?,14-/m1/s1
InChIKeyOXRLIOOGMSOLLM-SZBSRSIBSA-N
MW336.40 g/mol
LogP-0.77
Rot. Bonds3

About 9-[(3aR,4R,6R,6aR)-6-[(dimethylamino)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4,5-dihydropurin-6-amine

9-[(3aR,4R,6R,6aR)-6-[(dimethylamino)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4,5-dihydropurin-6-amine (PubChem CID 10806793) has the molecular formula C15H24N6O3 and a molecular weight of 336.40 g/mol. Its IUPAC name is 9-[(3aR,4R,6R,6aR)-6-[(dimethylamino)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4,5-dihydropurin-6-amine.

Molecular Properties

Compound Name9-[(3aR,4R,6R,6aR)-6-[(dimethylamino)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4,5-dihydropurin-6-amine
PubChem CID10806793
Molecular FormulaC15H24N6O3
Molecular Weight336.40 g/mol
Exact Mass336.19
IUPAC Name9-[(3aR,4R,6R,6aR)-6-[(dimethylamino)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4,5-dihydropurin-6-amine
SMILESCN(C)C[C@H]1O[C@@H](N2C=NC3C(N)=NC=NC32)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C15H24N6O3/c1-15(2)23-10-8(5-20(3)4)22-14(11(10)24-15)21-7-19-9-12(16)17-6-18-13(9)21/h6-11,13-14H,5H2,1-4H3,(H2,16,17,18)/t8-,9?,10-,11-,13?,14-/m1/s1
InChIKeyOXRLIOOGMSOLLM-SZBSRSIBSA-N
XLogP-0.77
TPSA97.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 9-[(3aR,4R,6R,6aR)-6-[(dimethylamino)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4,5-dihydropurin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[(3aR,4R,6R,6aR)-6-[(dimethylamino)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4,5-dihydropurin-6-amine?
The IUPAC name of 9-[(3aR,4R,6R,6aR)-6-[(dimethylamino)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4,5-dihydropurin-6-amine (CID 10806793) is 9-[(3aR,4R,6R,6aR)-6-[(dimethylamino)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4,5-dihydropurin-6-amine.
What is the SMILES notation for 9-[(3aR,4R,6R,6aR)-6-[(dimethylamino)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4,5-dihydropurin-6-amine?
The canonical SMILES for 9-[(3aR,4R,6R,6aR)-6-[(dimethylamino)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4,5-dihydropurin-6-amine is CN(C)C[C@H]1O[C@@H](N2C=NC3C(N)=NC=NC32)[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of 9-[(3aR,4R,6R,6aR)-6-[(dimethylamino)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4,5-dihydropurin-6-amine?
The InChIKey is OXRLIOOGMSOLLM-SZBSRSIBSA-N. The full InChI is InChI=1S/C15H24N6O3/c1-15(2)23-10-8(5-20(3)4)22-14(11(10)24-15)21-7-19-9-12(16)17-6-18-13(9)21/h6-11,13-14H,5H2,1-4H3,(H2,16,17,18)/t8-,9?,10-,11-,13?,14-/m1/s1.
What are the key properties of 9-[(3aR,4R,6R,6aR)-6-[(dimethylamino)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4,5-dihydropurin-6-amine?
9-[(3aR,4R,6R,6aR)-6-[(dimethylamino)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4,5-dihydropurin-6-amine has a molecular weight of 336.40 g/mol, XLogP of -0.77, 3 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)-6-[(dimethylamino)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4,5-dihydropurin-6-amine is sourced from PubChem (CID 10806793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).