[2-[(2-amino-6-propan-2-yloxypurin-9-yl)methoxy]-3-propan-2-yloxypropyl] acetate

C17H27N5O5 — CID 15595407

IUPAC[2-[(2-amino-6-propan-2-yloxypurin-9-yl)methoxy]-3-propan-2-yloxypropyl] acetate
SMILESCC(=O)OCC(COC(C)C)OCn1cnc2c(OC(C)C)nc(N)nc21
InChIInChI=1S/C17H27N5O5/c1-10(2)24-6-13(7-25-12(5)23)26-9-22-8-19-14-15(22)20-17(18)21-16(14)27-11(3)4/h8,10-11,13H,6-7,9H2,1-5H3,(H2,18,20,21)
InChIKeyCBYNVKTUAFJVGN-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.53
Rot. Bonds10

About [2-[(2-amino-6-propan-2-yloxypurin-9-yl)methoxy]-3-propan-2-yloxypropyl] acetate

[2-[(2-amino-6-propan-2-yloxypurin-9-yl)methoxy]-3-propan-2-yloxypropyl] acetate (PubChem CID 15595407) has the molecular formula C17H27N5O5 and a molecular weight of 381.43 g/mol. Its IUPAC name is [2-[(2-amino-6-propan-2-yloxypurin-9-yl)methoxy]-3-propan-2-yloxypropyl] acetate.

Molecular Properties

Compound Name[2-[(2-amino-6-propan-2-yloxypurin-9-yl)methoxy]-3-propan-2-yloxypropyl] acetate
PubChem CID15595407
Molecular FormulaC17H27N5O5
Molecular Weight381.43 g/mol
Exact Mass381.20
IUPAC Name[2-[(2-amino-6-propan-2-yloxypurin-9-yl)methoxy]-3-propan-2-yloxypropyl] acetate
SMILESCC(=O)OCC(COC(C)C)OCn1cnc2c(OC(C)C)nc(N)nc21
InChIInChI=1S/C17H27N5O5/c1-10(2)24-6-13(7-25-12(5)23)26-9-22-8-19-14-15(22)20-17(18)21-16(14)27-11(3)4/h8,10-11,13H,6-7,9H2,1-5H3,(H2,18,20,21)
InChIKeyCBYNVKTUAFJVGN-UHFFFAOYSA-N
XLogP1.53
TPSA123.61 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-amino-6-propan-2-yloxypurin-9-yl)methoxy]-3-propan-2-yloxypropyl] acetate?
The IUPAC name of [2-[(2-amino-6-propan-2-yloxypurin-9-yl)methoxy]-3-propan-2-yloxypropyl] acetate (CID 15595407) is [2-[(2-amino-6-propan-2-yloxypurin-9-yl)methoxy]-3-propan-2-yloxypropyl] acetate.
What is the SMILES notation for [2-[(2-amino-6-propan-2-yloxypurin-9-yl)methoxy]-3-propan-2-yloxypropyl] acetate?
The canonical SMILES for [2-[(2-amino-6-propan-2-yloxypurin-9-yl)methoxy]-3-propan-2-yloxypropyl] acetate is CC(=O)OCC(COC(C)C)OCn1cnc2c(OC(C)C)nc(N)nc21.
What is the InChIKey of [2-[(2-amino-6-propan-2-yloxypurin-9-yl)methoxy]-3-propan-2-yloxypropyl] acetate?
The InChIKey is CBYNVKTUAFJVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O5/c1-10(2)24-6-13(7-25-12(5)23)26-9-22-8-19-14-15(22)20-17(18)21-16(14)27-11(3)4/h8,10-11,13H,6-7,9H2,1-5H3,(H2,18,20,21).
What are the key properties of [2-[(2-amino-6-propan-2-yloxypurin-9-yl)methoxy]-3-propan-2-yloxypropyl] acetate?
[2-[(2-amino-6-propan-2-yloxypurin-9-yl)methoxy]-3-propan-2-yloxypropyl] acetate has a molecular weight of 381.43 g/mol, XLogP of 1.53, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-amino-6-propan-2-yloxypurin-9-yl)methoxy]-3-propan-2-yloxypropyl] acetate is sourced from PubChem (CID 15595407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).