[2-(2-amino-6-methoxy-8-oxo-7-propylpurin-9-yl)oxolan-3-yl] acetate

C15H21N5O5 — CID 175808743

IUPAC[2-(2-amino-6-methoxy-8-oxo-7-propylpurin-9-yl)oxolan-3-yl] acetate
SMILESCCCn1c(=O)n(C2OCCC2OC(C)=O)c2nc(N)nc(OC)c21
InChIInChI=1S/C15H21N5O5/c1-4-6-19-10-11(17-14(16)18-12(10)23-3)20(15(19)22)13-9(5-7-24-13)25-8(2)21/h9,13H,4-7H2,1-3H3,(H2,16,17,18)
InChIKeyQIZIGVUXGNROSX-UHFFFAOYSA-N
MW351.36 g/mol
LogP0.44
Rot. Bonds5

About [2-(2-amino-6-methoxy-8-oxo-7-propylpurin-9-yl)oxolan-3-yl] acetate

[2-(2-amino-6-methoxy-8-oxo-7-propylpurin-9-yl)oxolan-3-yl] acetate (PubChem CID 175808743) has the molecular formula C15H21N5O5 and a molecular weight of 351.36 g/mol. Its IUPAC name is [2-(2-amino-6-methoxy-8-oxo-7-propylpurin-9-yl)oxolan-3-yl] acetate.

Molecular Properties

Compound Name[2-(2-amino-6-methoxy-8-oxo-7-propylpurin-9-yl)oxolan-3-yl] acetate
PubChem CID175808743
Molecular FormulaC15H21N5O5
Molecular Weight351.36 g/mol
Exact Mass351.15
IUPAC Name[2-(2-amino-6-methoxy-8-oxo-7-propylpurin-9-yl)oxolan-3-yl] acetate
SMILESCCCn1c(=O)n(C2OCCC2OC(C)=O)c2nc(N)nc(OC)c21
InChIInChI=1S/C15H21N5O5/c1-4-6-19-10-11(17-14(16)18-12(10)23-3)20(15(19)22)13-9(5-7-24-13)25-8(2)21/h9,13H,4-7H2,1-3H3,(H2,16,17,18)
InChIKeyQIZIGVUXGNROSX-UHFFFAOYSA-N
XLogP0.44
TPSA123.49 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Launch Full Analysis

Related Compounds

[2-(2-amino-6-methoxy-8-oxo-7-prop-2-ynylpurin-9-yl)-4-fluorooxolan-3-yl] acetate
CID 175808904
[2-(2-amino-8-oxo-7-prop-2-ynylpurin-9-yl)oxolan-3-yl] acetate
CID 175808764
[2-[6-chloro-2-hex-1-ynyl-8-(6-methoxy-2-pyridinyl)purin-9-yl]oxolan-3-yl] acetate
CID 174205698
[(2S,4R,5R)-4-acetyloxy-5-[2-amino-7-(2-cyanoethyl)-8-oxopurin-9-yl]oxolan-2-yl] propanoate
CID 175098702
[(2R,3S,4R,5R)-4-acetyloxy-5-[2-amino-7-(cyclopropylmethyl)-8-oxopurin-9-yl]-2-ethyloxolan-3-yl] acetate
CID 162078138
ethyl 1-[[9-[(2R,3R,5S)-3-acetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-2-amino-8-oxopurin-7-yl]methyl]cyclopropane-1-carboxylate
CID 150735415
[(2R,3R)-2-[6-chloro-8-(5-methylfuran-2-yl)-2-pent-1-ynylpurin-9-yl]oxolan-3-yl] acetate
CID 169004568
[(2S,4R,5R)-4-acetyloxy-5-[2-amino-7-[(4-chlorophenyl)methyl]-8-oxopurin-9-yl]oxolan-2-yl]methyl acetate
CID 153282954
methyl 2-[(2S,4R,5R)-4-acetyloxy-5-[2-amino-7-(2,2-difluoroethyl)-8-oxopurin-9-yl]oxolan-2-yl]acetate
CID 175110046
methyl 2-[(2S,4R,5R)-4-acetyloxy-5-[2-amino-7-(3-cyanopropyl)-8-oxopurin-9-yl]oxolan-2-yl]acetate
CID 175102138
[(2S,4R,5R)-4-acetyloxy-5-[2-amino-8-oxo-7-(2H-tetrazol-5-ylmethyl)purin-9-yl]oxolan-2-yl] propanoate
CID 175096339
2-chloro-6-methoxy-7-methyl-9-propylpurin-8-one
CID 11288347

Frequently Asked Questions

What is the IUPAC name of [2-(2-amino-6-methoxy-8-oxo-7-propylpurin-9-yl)oxolan-3-yl] acetate?
The IUPAC name of [2-(2-amino-6-methoxy-8-oxo-7-propylpurin-9-yl)oxolan-3-yl] acetate (CID 175808743) is [2-(2-amino-6-methoxy-8-oxo-7-propylpurin-9-yl)oxolan-3-yl] acetate.
What is the SMILES notation for [2-(2-amino-6-methoxy-8-oxo-7-propylpurin-9-yl)oxolan-3-yl] acetate?
The canonical SMILES for [2-(2-amino-6-methoxy-8-oxo-7-propylpurin-9-yl)oxolan-3-yl] acetate is CCCn1c(=O)n(C2OCCC2OC(C)=O)c2nc(N)nc(OC)c21.
What is the InChIKey of [2-(2-amino-6-methoxy-8-oxo-7-propylpurin-9-yl)oxolan-3-yl] acetate?
The InChIKey is QIZIGVUXGNROSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O5/c1-4-6-19-10-11(17-14(16)18-12(10)23-3)20(15(19)22)13-9(5-7-24-13)25-8(2)21/h9,13H,4-7H2,1-3H3,(H2,16,17,18).
What are the key properties of [2-(2-amino-6-methoxy-8-oxo-7-propylpurin-9-yl)oxolan-3-yl] acetate?
[2-(2-amino-6-methoxy-8-oxo-7-propylpurin-9-yl)oxolan-3-yl] acetate has a molecular weight of 351.36 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-amino-6-methoxy-8-oxo-7-propylpurin-9-yl)oxolan-3-yl] acetate is sourced from PubChem (CID 175808743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).