2-[(2-aminopurin-9-yl)methoxy]propane-1,3-diol

C9H13N5O3 — CID 3010098

IUPAC2-[(2-aminopurin-9-yl)methoxy]propane-1,3-diol
SMILESNc1ncc2ncn(COC(CO)CO)c2n1
InChIInChI=1S/C9H13N5O3/c10-9-11-1-7-8(13-9)14(4-12-7)5-17-6(2-15)3-16/h1,4,6,15-16H,2-3,5H2,(H2,10,11,13)
InChIKeyWVDCJUSYASXINB-UHFFFAOYSA-N
MW239.24 g/mol
LogP-1.26
Rot. Bonds5

About 2-[(2-aminopurin-9-yl)methoxy]propane-1,3-diol

2-[(2-aminopurin-9-yl)methoxy]propane-1,3-diol (PubChem CID 3010098) has the molecular formula C9H13N5O3 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-[(2-aminopurin-9-yl)methoxy]propane-1,3-diol.

Molecular Properties

Compound Name2-[(2-aminopurin-9-yl)methoxy]propane-1,3-diol
PubChem CID3010098
Molecular FormulaC9H13N5O3
Molecular Weight239.24 g/mol
Exact Mass239.10
IUPAC Name2-[(2-aminopurin-9-yl)methoxy]propane-1,3-diol
SMILESNc1ncc2ncn(COC(CO)CO)c2n1
InChIInChI=1S/C9H13N5O3/c10-9-11-1-7-8(13-9)14(4-12-7)5-17-6(2-15)3-16/h1,4,6,15-16H,2-3,5H2,(H2,10,11,13)
InChIKeyWVDCJUSYASXINB-UHFFFAOYSA-N
XLogP-1.26
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminopurin-9-yl)methoxy]propane-1,3-diol?
The IUPAC name of 2-[(2-aminopurin-9-yl)methoxy]propane-1,3-diol (CID 3010098) is 2-[(2-aminopurin-9-yl)methoxy]propane-1,3-diol.
What is the SMILES notation for 2-[(2-aminopurin-9-yl)methoxy]propane-1,3-diol?
The canonical SMILES for 2-[(2-aminopurin-9-yl)methoxy]propane-1,3-diol is Nc1ncc2ncn(COC(CO)CO)c2n1.
What is the InChIKey of 2-[(2-aminopurin-9-yl)methoxy]propane-1,3-diol?
The InChIKey is WVDCJUSYASXINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c10-9-11-1-7-8(13-9)14(4-12-7)5-17-6(2-15)3-16/h1,4,6,15-16H,2-3,5H2,(H2,10,11,13).
What are the key properties of 2-[(2-aminopurin-9-yl)methoxy]propane-1,3-diol?
2-[(2-aminopurin-9-yl)methoxy]propane-1,3-diol has a molecular weight of 239.24 g/mol, XLogP of -1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminopurin-9-yl)methoxy]propane-1,3-diol is sourced from PubChem (CID 3010098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).