3-(2-aminopurin-9-yl)oxypropan-1-ol

C8H11N5O2 — CID 22160578

IUPAC3-(2-aminopurin-9-yl)oxypropan-1-ol
SMILESNc1ncc2ncn(OCCCO)c2n1
InChIInChI=1S/C8H11N5O2/c9-8-10-4-6-7(12-8)13(5-11-6)15-3-1-2-14/h4-5,14H,1-3H2,(H2,9,10,12)
InChIKeyFBMDLCFJQAPBNK-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.78
Rot. Bonds4

About 3-(2-aminopurin-9-yl)oxypropan-1-ol

3-(2-aminopurin-9-yl)oxypropan-1-ol (PubChem CID 22160578) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 3-(2-aminopurin-9-yl)oxypropan-1-ol.

Molecular Properties

Compound Name3-(2-aminopurin-9-yl)oxypropan-1-ol
PubChem CID22160578
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name3-(2-aminopurin-9-yl)oxypropan-1-ol
SMILESNc1ncc2ncn(OCCCO)c2n1
InChIInChI=1S/C8H11N5O2/c9-8-10-4-6-7(12-8)13(5-11-6)15-3-1-2-14/h4-5,14H,1-3H2,(H2,9,10,12)
InChIKeyFBMDLCFJQAPBNK-UHFFFAOYSA-N
XLogP-0.78
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopurin-9-yl)oxypropan-1-ol?
The IUPAC name of 3-(2-aminopurin-9-yl)oxypropan-1-ol (CID 22160578) is 3-(2-aminopurin-9-yl)oxypropan-1-ol.
What is the SMILES notation for 3-(2-aminopurin-9-yl)oxypropan-1-ol?
The canonical SMILES for 3-(2-aminopurin-9-yl)oxypropan-1-ol is Nc1ncc2ncn(OCCCO)c2n1.
What is the InChIKey of 3-(2-aminopurin-9-yl)oxypropan-1-ol?
The InChIKey is FBMDLCFJQAPBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c9-8-10-4-6-7(12-8)13(5-11-6)15-3-1-2-14/h4-5,14H,1-3H2,(H2,9,10,12).
What are the key properties of 3-(2-aminopurin-9-yl)oxypropan-1-ol?
3-(2-aminopurin-9-yl)oxypropan-1-ol has a molecular weight of 209.21 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopurin-9-yl)oxypropan-1-ol is sourced from PubChem (CID 22160578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).