9-[(3aR,4S,6aR)-6-(aminomethyl)-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]purin-6-amine

C14H20N6O3 — CID 139546886

IUPAC9-[(3aR,4S,6aR)-6-(aminomethyl)-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]purin-6-amine
SMILESCC1(C)O[C@@H]2C(CN)O[C@](C)(n3cnc4c(N)ncnc43)[C@@H]2O1
InChIInChI=1S/C14H20N6O3/c1-13(2)22-9-7(4-15)21-14(3,10(9)23-13)20-6-19-8-11(16)17-5-18-12(8)20/h5-7,9-10H,4,15H2,1-3H3,(H2,16,17,18)/t7?,9-,10-,14+/m1/s1
InChIKeyRTQCNIJAFGCHGD-XEYKSWRNSA-N
MW320.35 g/mol
LogP-0.04
Rot. Bonds2

About 9-[(3aR,4S,6aR)-6-(aminomethyl)-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]purin-6-amine

9-[(3aR,4S,6aR)-6-(aminomethyl)-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]purin-6-amine (PubChem CID 139546886) has the molecular formula C14H20N6O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 9-[(3aR,4S,6aR)-6-(aminomethyl)-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]purin-6-amine.

Molecular Properties

Compound Name9-[(3aR,4S,6aR)-6-(aminomethyl)-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]purin-6-amine
PubChem CID139546886
Molecular FormulaC14H20N6O3
Molecular Weight320.35 g/mol
Exact Mass320.16
IUPAC Name9-[(3aR,4S,6aR)-6-(aminomethyl)-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]purin-6-amine
SMILESCC1(C)O[C@@H]2C(CN)O[C@](C)(n3cnc4c(N)ncnc43)[C@@H]2O1
InChIInChI=1S/C14H20N6O3/c1-13(2)22-9-7(4-15)21-14(3,10(9)23-13)20-6-19-8-11(16)17-5-18-12(8)20/h5-7,9-10H,4,15H2,1-3H3,(H2,16,17,18)/t7?,9-,10-,14+/m1/s1
InChIKeyRTQCNIJAFGCHGD-XEYKSWRNSA-N
XLogP-0.04
TPSA123.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 9-[(3aR,4S,6aR)-6-(aminomethyl)-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]purin-6-amine with MolForge

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Related Compounds

(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 126731683
(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 58142645
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxy-5-methyloxolan-3-ol
CID 139639688
[(4S,6aS)-6-(6-aminopurin-9-yl)-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-yl]methanol
CID 164935277
[(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
disodium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl phosphate
CID 175699079
9-[[(3aS,5R,6R,6aS)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]purin-6-amine
CID 101070451
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
N-[(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-3-yl]-2,2,2-trifluoroacetamide
CID 145099504
9-[(3aS,4S,6S,6aS)-2,2-dimethyl-6-(methylaminomethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-amine
CID 124930940
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxolan-2-yl]methanol
CID 174863822
9-[(3aR,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-amine
CID 168832119

Frequently Asked Questions

What is the IUPAC name of 9-[(3aR,4S,6aR)-6-(aminomethyl)-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]purin-6-amine?
The IUPAC name of 9-[(3aR,4S,6aR)-6-(aminomethyl)-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]purin-6-amine (CID 139546886) is 9-[(3aR,4S,6aR)-6-(aminomethyl)-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]purin-6-amine.
What is the SMILES notation for 9-[(3aR,4S,6aR)-6-(aminomethyl)-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]purin-6-amine?
The canonical SMILES for 9-[(3aR,4S,6aR)-6-(aminomethyl)-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]purin-6-amine is CC1(C)O[C@@H]2C(CN)O[C@](C)(n3cnc4c(N)ncnc43)[C@@H]2O1.
What is the InChIKey of 9-[(3aR,4S,6aR)-6-(aminomethyl)-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]purin-6-amine?
The InChIKey is RTQCNIJAFGCHGD-XEYKSWRNSA-N. The full InChI is InChI=1S/C14H20N6O3/c1-13(2)22-9-7(4-15)21-14(3,10(9)23-13)20-6-19-8-11(16)17-5-18-12(8)20/h5-7,9-10H,4,15H2,1-3H3,(H2,16,17,18)/t7?,9-,10-,14+/m1/s1.
What are the key properties of 9-[(3aR,4S,6aR)-6-(aminomethyl)-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]purin-6-amine?
9-[(3aR,4S,6aR)-6-(aminomethyl)-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]purin-6-amine has a molecular weight of 320.35 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3aR,4S,6aR)-6-(aminomethyl)-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]purin-6-amine is sourced from PubChem (CID 139546886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).