9-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-6-N,6-N-dimethylpurine-2,6-diamine

C14H21FN6O — CID 134165908

IUPAC9-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-6-N,6-N-dimethylpurine-2,6-diamine
SMILESCC[C@H]1O[C@@H](n2cnc3c(N(C)C)nc(N)nc32)[C@@H](F)[C@@H]1C
InChIInChI=1S/C14H21FN6O/c1-5-8-7(2)9(15)13(22-8)21-6-17-10-11(20(3)4)18-14(16)19-12(10)21/h6-9,13H,5H2,1-4H3,(H2,16,18,19)/t7-,8-,9+,13-/m1/s1
InChIKeyLKSCDEWCNQWRLT-RVBSWOSCSA-N
MW308.36 g/mol
LogP1.76
Rot. Bonds3

About 9-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-6-N,6-N-dimethylpurine-2,6-diamine

9-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-6-N,6-N-dimethylpurine-2,6-diamine (PubChem CID 134165908) has the molecular formula C14H21FN6O and a molecular weight of 308.36 g/mol. Its IUPAC name is 9-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-6-N,6-N-dimethylpurine-2,6-diamine.

Molecular Properties

Compound Name9-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-6-N,6-N-dimethylpurine-2,6-diamine
PubChem CID134165908
Molecular FormulaC14H21FN6O
Molecular Weight308.36 g/mol
Exact Mass308.18
IUPAC Name9-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-6-N,6-N-dimethylpurine-2,6-diamine
SMILESCC[C@H]1O[C@@H](n2cnc3c(N(C)C)nc(N)nc32)[C@@H](F)[C@@H]1C
InChIInChI=1S/C14H21FN6O/c1-5-8-7(2)9(15)13(22-8)21-6-17-10-11(20(3)4)18-14(16)19-12(10)21/h6-9,13H,5H2,1-4H3,(H2,16,18,19)/t7-,8-,9+,13-/m1/s1
InChIKeyLKSCDEWCNQWRLT-RVBSWOSCSA-N
XLogP1.76
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-6-N,6-N-dimethylpurine-2,6-diamine with MolForge

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Related Compounds

6-N-cyclopropyl-9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-6-N-methylpurine-2,6-diamine
CID 134165947
(2R,3R,4S,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 134165870
(2R,3R,4R,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol
CID 134165851
2-chloro-N-cyclopentyl-9-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]purin-6-amine
CID 130438293
(2R,3R,4S,5R)-5-[6-(dimethylamino)-2-fluoropurin-9-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 67910456
(3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-ethyloxolane-3,4-diol
CID 134240596
2-chloro-9-[(2R,4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purin-6-amine
CID 58049084
(2R,3R,4S,5R)-5-(2-amino-6-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 137482466
(2R,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol
CID 58192994
(2R,3R,4R,5R)-5-(2-amino-6-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 10379075
2-amino-9-[(2R,3R,4R,5S)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-methyloxolan-2-yl]-1H-purin-6-one
CID 165069424
[(3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] acetate
CID 134235475

Frequently Asked Questions

What is the IUPAC name of 9-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-6-N,6-N-dimethylpurine-2,6-diamine?
The IUPAC name of 9-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-6-N,6-N-dimethylpurine-2,6-diamine (CID 134165908) is 9-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-6-N,6-N-dimethylpurine-2,6-diamine.
What is the SMILES notation for 9-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-6-N,6-N-dimethylpurine-2,6-diamine?
The canonical SMILES for 9-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-6-N,6-N-dimethylpurine-2,6-diamine is CC[C@H]1O[C@@H](n2cnc3c(N(C)C)nc(N)nc32)[C@@H](F)[C@@H]1C.
What is the InChIKey of 9-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-6-N,6-N-dimethylpurine-2,6-diamine?
The InChIKey is LKSCDEWCNQWRLT-RVBSWOSCSA-N. The full InChI is InChI=1S/C14H21FN6O/c1-5-8-7(2)9(15)13(22-8)21-6-17-10-11(20(3)4)18-14(16)19-12(10)21/h6-9,13H,5H2,1-4H3,(H2,16,18,19)/t7-,8-,9+,13-/m1/s1.
What are the key properties of 9-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-6-N,6-N-dimethylpurine-2,6-diamine?
9-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-6-N,6-N-dimethylpurine-2,6-diamine has a molecular weight of 308.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-6-N,6-N-dimethylpurine-2,6-diamine is sourced from PubChem (CID 134165908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).