[2-[[6-ethoxy-2-(methylamino)purin-9-yl]methoxy]-3-hydroxypropyl] ethyl carbonate

C15H23N5O6 — CID 70450657

IUPAC[2-[[6-ethoxy-2-(methylamino)purin-9-yl]methoxy]-3-hydroxypropyl] ethyl carbonate
SMILESCCOC(=O)OCC(CO)OCn1cnc2c(OCC)nc(NC)nc21
InChIInChI=1S/C15H23N5O6/c1-4-23-13-11-12(18-14(16-3)19-13)20(8-17-11)9-26-10(6-21)7-25-15(22)24-5-2/h8,10,21H,4-7,9H2,1-3H3,(H,16,18,19)
InChIKeyYTWPAHHUJABPSH-UHFFFAOYSA-N
MW369.38 g/mol
LogP0.77
Rot. Bonds10

About [2-[[6-ethoxy-2-(methylamino)purin-9-yl]methoxy]-3-hydroxypropyl] ethyl carbonate

[2-[[6-ethoxy-2-(methylamino)purin-9-yl]methoxy]-3-hydroxypropyl] ethyl carbonate (PubChem CID 70450657) has the molecular formula C15H23N5O6 and a molecular weight of 369.38 g/mol. Its IUPAC name is [2-[[6-ethoxy-2-(methylamino)purin-9-yl]methoxy]-3-hydroxypropyl] ethyl carbonate.

Molecular Properties

Compound Name[2-[[6-ethoxy-2-(methylamino)purin-9-yl]methoxy]-3-hydroxypropyl] ethyl carbonate
PubChem CID70450657
Molecular FormulaC15H23N5O6
Molecular Weight369.38 g/mol
Exact Mass369.16
IUPAC Name[2-[[6-ethoxy-2-(methylamino)purin-9-yl]methoxy]-3-hydroxypropyl] ethyl carbonate
SMILESCCOC(=O)OCC(CO)OCn1cnc2c(OCC)nc(NC)nc21
InChIInChI=1S/C15H23N5O6/c1-4-23-13-11-12(18-14(16-3)19-13)20(8-17-11)9-26-10(6-21)7-25-15(22)24-5-2/h8,10,21H,4-7,9H2,1-3H3,(H,16,18,19)
InChIKeyYTWPAHHUJABPSH-UHFFFAOYSA-N
XLogP0.77
TPSA129.85 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.38
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

6-ethoxy-N,9-dimethylpurin-2-amine
CID 88677482
2-[(2-amino-6-methylpurin-9-yl)methoxy]butan-1-ol
CID 91543921
[2-[[2-(dimethylamino)-6-(methylamino)purin-9-yl]methoxy]-3-hydroxypropyl] hexadecanoate
CID 67883516
2-[(6-ethoxy-2-methylpurin-9-yl)methoxy]-4-fluoropentane-1,3-diol
CID 123531570
9-(1-hydroxybutan-2-yloxymethyl)-2-(methylamino)-1H-purin-6-one
CID 135829676
9-(1,3-dihydroxypropan-2-yloxymethyl)-2-methyl-1H-purin-6-one;[3-hydroxy-2-[(2-methyl-6-oxo-1H-purin-9-yl)methoxy]propyl] 2-amino-3-methylbutanoate
CID 158366910
[2-[(6-aminopurin-9-yl)methoxy]-3-methoxycarbonyloxypropyl] methyl carbonate
CID 70449513
[(2S)-2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] (2R)-2-amino-3-methylbutanoate
CID 135543634
[2-[(6-aminopurin-9-yl)methoxy]-3-butoxycarbonyloxypropyl] butyl carbonate
CID 70450455
[2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)purin-6-yl]-trimethylazanium
CID 11013029
2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-one
CID 135398740
2-amino-9-(1-hydroxyhexan-2-yloxymethyl)-1H-purin-6-one
CID 135749844

Frequently Asked Questions

What is the IUPAC name of [2-[[6-ethoxy-2-(methylamino)purin-9-yl]methoxy]-3-hydroxypropyl] ethyl carbonate?
The IUPAC name of [2-[[6-ethoxy-2-(methylamino)purin-9-yl]methoxy]-3-hydroxypropyl] ethyl carbonate (CID 70450657) is [2-[[6-ethoxy-2-(methylamino)purin-9-yl]methoxy]-3-hydroxypropyl] ethyl carbonate.
What is the SMILES notation for [2-[[6-ethoxy-2-(methylamino)purin-9-yl]methoxy]-3-hydroxypropyl] ethyl carbonate?
The canonical SMILES for [2-[[6-ethoxy-2-(methylamino)purin-9-yl]methoxy]-3-hydroxypropyl] ethyl carbonate is CCOC(=O)OCC(CO)OCn1cnc2c(OCC)nc(NC)nc21.
What is the InChIKey of [2-[[6-ethoxy-2-(methylamino)purin-9-yl]methoxy]-3-hydroxypropyl] ethyl carbonate?
The InChIKey is YTWPAHHUJABPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O6/c1-4-23-13-11-12(18-14(16-3)19-13)20(8-17-11)9-26-10(6-21)7-25-15(22)24-5-2/h8,10,21H,4-7,9H2,1-3H3,(H,16,18,19).
What are the key properties of [2-[[6-ethoxy-2-(methylamino)purin-9-yl]methoxy]-3-hydroxypropyl] ethyl carbonate?
[2-[[6-ethoxy-2-(methylamino)purin-9-yl]methoxy]-3-hydroxypropyl] ethyl carbonate has a molecular weight of 369.38 g/mol, XLogP of 0.77, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[6-ethoxy-2-(methylamino)purin-9-yl]methoxy]-3-hydroxypropyl] ethyl carbonate is sourced from PubChem (CID 70450657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).