9-[(4aS,7R,8aR)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine

C14H19N5O3 — CID 102516834

IUPAC9-[(4aS,7R,8aR)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine
SMILESCC1(C)OC[C@@H]2OC[C@H](n3cnc4c(N)ncnc43)C[C@H]2O1
InChIInChI=1S/C14H19N5O3/c1-14(2)21-5-10-9(22-14)3-8(4-20-10)19-7-18-11-12(15)16-6-17-13(11)19/h6-10H,3-5H2,1-2H3,(H2,15,16,17)/t8-,9-,10+/m1/s1
InChIKeyPWNVNOJTQASZIK-BBBLOLIVSA-N
MW305.34 g/mol
LogP0.89
Rot. Bonds1

About 9-[(4aS,7R,8aR)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine

9-[(4aS,7R,8aR)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine (PubChem CID 102516834) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 9-[(4aS,7R,8aR)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine.

Molecular Properties

Compound Name9-[(4aS,7R,8aR)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine
PubChem CID102516834
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name9-[(4aS,7R,8aR)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine
SMILESCC1(C)OC[C@@H]2OC[C@H](n3cnc4c(N)ncnc43)C[C@H]2O1
InChIInChI=1S/C14H19N5O3/c1-14(2)21-5-10-9(22-14)3-8(4-20-10)19-7-18-11-12(15)16-6-17-13(11)19/h6-10H,3-5H2,1-2H3,(H2,15,16,17)/t8-,9-,10+/m1/s1
InChIKeyPWNVNOJTQASZIK-BBBLOLIVSA-N
XLogP0.89
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 9-[(4aS,7R,8aR)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine with MolForge

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Related Compounds

9-[(3aR,4R,6S,6aR)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-amine
CID 10690980
(2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol
CID 10611714
1-[(3aS,4R,6S,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]ethanone
CID 170375320
9-[(3aR,4R,6R,6aS)-6-(ethylaminomethyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]purin-6-amine
CID 170394659
[9-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl)purin-6-yl]azanide;ethane;iridium
CID 167508913
9-[(6R,6aS)-2,2,3'-trimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,1'-cyclobutane]-6-yl]purin-6-amine
CID 167591593
9-[(3aR,6R,6aS)-2,2,4-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]purin-6-amine
CID 67400704
(4R)-3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol
CID 135258372
[(1S,3R)-3-(6-aminopurin-9-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
CID 162781865
[[9-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl)purin-6-yl]amino]thallium;ethane;methanol
CID 167504346
(2R,3S,4R)-5-(6-aminopurin-9-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methyloxolane-3,4-diol
CID 160504953
[(4R,6R)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 2823635

Frequently Asked Questions

What is the IUPAC name of 9-[(4aS,7R,8aR)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine?
The IUPAC name of 9-[(4aS,7R,8aR)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine (CID 102516834) is 9-[(4aS,7R,8aR)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine.
What is the SMILES notation for 9-[(4aS,7R,8aR)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine?
The canonical SMILES for 9-[(4aS,7R,8aR)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine is CC1(C)OC[C@@H]2OC[C@H](n3cnc4c(N)ncnc43)C[C@H]2O1.
What is the InChIKey of 9-[(4aS,7R,8aR)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine?
The InChIKey is PWNVNOJTQASZIK-BBBLOLIVSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-14(2)21-5-10-9(22-14)3-8(4-20-10)19-7-18-11-12(15)16-6-17-13(11)19/h6-10H,3-5H2,1-2H3,(H2,15,16,17)/t8-,9-,10+/m1/s1.
What are the key properties of 9-[(4aS,7R,8aR)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine?
9-[(4aS,7R,8aR)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine has a molecular weight of 305.34 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4aS,7R,8aR)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine is sourced from PubChem (CID 102516834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).