[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methyl propanoate

C15H22N6O3 — CID 167258822

IUPAC[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methyl propanoate
SMILESCCC(=O)OCC1CC(C)C(n2cnc3c(NC)nc(N)nc32)O1
InChIInChI=1S/C15H22N6O3/c1-4-10(22)23-6-9-5-8(2)14(24-9)21-7-18-11-12(17-3)19-15(16)20-13(11)21/h7-9,14H,4-6H2,1-3H3,(H3,16,17,19,20)
InChIKeyDRBIUBHWMPPREE-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.33
Rot. Bonds5

About [5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methyl propanoate

[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methyl propanoate (PubChem CID 167258822) has the molecular formula C15H22N6O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is [5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methyl propanoate.

Molecular Properties

Compound Name[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methyl propanoate
PubChem CID167258822
Molecular FormulaC15H22N6O3
Molecular Weight334.38 g/mol
Exact Mass334.18
IUPAC Name[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methyl propanoate
SMILESCCC(=O)OCC1CC(C)C(n2cnc3c(NC)nc(N)nc32)O1
InChIInChI=1S/C15H22N6O3/c1-4-10(22)23-6-9-5-8(2)14(24-9)21-7-18-11-12(17-3)19-15(16)20-13(11)21/h7-9,14H,4-6H2,1-3H3,(H3,16,17,19,20)
InChIKeyDRBIUBHWMPPREE-UHFFFAOYSA-N
XLogP1.33
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methyl 3-methylbutanoate
CID 166530844
9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-N-methylpurine-2,6-diamine
CID 145444543
[(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;ethane
CID 145444491
propan-2-yl 2-[2-[[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy]hydrazinyl]acetate
CID 170602311
[(4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy-oxo-phenoxyphosphanium
CID 138492411
[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;oxan-2-ol
CID 156898267
[(2R,5R)-5-(2-amino-6-chloropurin-9-yl)-4-methyloxolan-2-yl]methyl benzoate
CID 173469042
[5-[2-amino-6-(cyclopropylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy-[(1-methoxy-1-oxopropan-2-yl)amino]-oxophosphanium
CID 163634571
2-[5-(2-amino-6-ethoxypurin-9-yl)-4-methyloxolan-2-yl]ethoxy-hydroxy-oxophosphanium
CID 123836908
[(2R,3R,4R,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-4-methyl-2-(propanoyloxymethyl)oxolan-3-yl] 3-methylbutanoate
CID 166531568
[5-[2-amino-6-(azetidin-1-yl)purin-9-yl]-4-methyloxolan-2-yl]methyl ethyl hydrogen phosphate
CID 143911826
(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 [5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methyl propanoate?
The IUPAC name of [5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methyl propanoate (CID 167258822) is [5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methyl propanoate.
What is the SMILES notation for [5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methyl propanoate?
The canonical SMILES for [5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methyl propanoate is CCC(=O)OCC1CC(C)C(n2cnc3c(NC)nc(N)nc32)O1.
What is the InChIKey of [5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methyl propanoate?
The InChIKey is DRBIUBHWMPPREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3/c1-4-10(22)23-6-9-5-8(2)14(24-9)21-7-18-11-12(17-3)19-15(16)20-13(11)21/h7-9,14H,4-6H2,1-3H3,(H3,16,17,19,20).
What are the key properties of [5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methyl propanoate?
[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methyl propanoate has a molecular weight of 334.38 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methyl propanoate is sourced from PubChem (CID 167258822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).