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

C13H20N6O — CID 145444543

IUPAC9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-N-methylpurine-2,6-diamine
SMILESCC[C@@H]1C[C@H](C)[C@H](n2cnc3c(NC)nc(N)nc32)O1
InChIInChI=1S/C13H20N6O/c1-4-8-5-7(2)12(20-8)19-6-16-9-10(15-3)17-13(14)18-11(9)19/h6-8,12H,4-5H2,1-3H3,(H3,14,15,17,18)/t7-,8+,12+/m0/s1
InChIKeyWXDQEKXXFCFVKT-JOAULVNJSA-N
MW276.34 g/mol
LogP1.78
Rot. Bonds3

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

9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-N-methylpurine-2,6-diamine (PubChem CID 145444543) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-N-methylpurine-2,6-diamine.

Molecular Properties

Compound Name9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-N-methylpurine-2,6-diamine
PubChem CID145444543
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-N-methylpurine-2,6-diamine
SMILESCC[C@@H]1C[C@H](C)[C@H](n2cnc3c(NC)nc(N)nc32)O1
InChIInChI=1S/C13H20N6O/c1-4-8-5-7(2)12(20-8)19-6-16-9-10(15-3)17-13(14)18-11(9)19/h6-8,12H,4-5H2,1-3H3,(H3,14,15,17,18)/t7-,8+,12+/m0/s1
InChIKeyWXDQEKXXFCFVKT-JOAULVNJSA-N
XLogP1.78
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

[(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;ethane
CID 145444491
[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methyl propanoate
CID 167258822
[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methyl 3-methylbutanoate
CID 166530844
[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;oxan-2-ol
CID 156898267
[(4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy-oxo-phenoxyphosphanium
CID 138492411
propan-2-yl 2-[2-[[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy]hydrazinyl]acetate
CID 170602311
2-[5-(2-amino-6-ethoxypurin-9-yl)-4-methyloxolan-2-yl]ethoxy-hydroxy-oxophosphanium
CID 123836908
[5-[2-amino-6-(cyclopropylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy-[(1-methoxy-1-oxopropan-2-yl)amino]-oxophosphanium
CID 163634571
(3R,4R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 166711753
9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-amine
CID 144592425
[(2R,5R)-5-(2-amino-6-chloropurin-9-yl)-4-methyloxolan-2-yl]methyl benzoate
CID 173469042
(2R)-2-[[[(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]-3-(2,2-dimethylpropoxy)-2-methylpropanal
CID 163493376

Frequently Asked Questions

What is the IUPAC name of 9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-N-methylpurine-2,6-diamine?
The IUPAC name of 9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-N-methylpurine-2,6-diamine (CID 145444543) is 9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-N-methylpurine-2,6-diamine.
What is the SMILES notation for 9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-N-methylpurine-2,6-diamine?
The canonical SMILES for 9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-N-methylpurine-2,6-diamine is CC[C@@H]1C[C@H](C)[C@H](n2cnc3c(NC)nc(N)nc32)O1.
What is the InChIKey of 9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-N-methylpurine-2,6-diamine?
The InChIKey is WXDQEKXXFCFVKT-JOAULVNJSA-N. The full InChI is InChI=1S/C13H20N6O/c1-4-8-5-7(2)12(20-8)19-6-16-9-10(15-3)17-13(14)18-11(9)19/h6-8,12H,4-5H2,1-3H3,(H3,14,15,17,18)/t7-,8+,12+/m0/s1.
What are the key properties of 9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-N-methylpurine-2,6-diamine?
9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-N-methylpurine-2,6-diamine has a molecular weight of 276.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-N-methylpurine-2,6-diamine is sourced from PubChem (CID 145444543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).