3-(2-amino-6-ethoxypurin-9-yl)oxypropan-1-ol

C10H15N5O3 — CID 22160570

IUPAC3-(2-amino-6-ethoxypurin-9-yl)oxypropan-1-ol
SMILESCCOc1nc(N)nc2c1ncn2OCCCO
InChIInChI=1S/C10H15N5O3/c1-2-17-9-7-8(13-10(11)14-9)15(6-12-7)18-5-3-4-16/h6,16H,2-5H2,1H3,(H2,11,13,14)
InChIKeyQYNZMQSAFSNVSA-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.38
Rot. Bonds6

About 3-(2-amino-6-ethoxypurin-9-yl)oxypropan-1-ol

3-(2-amino-6-ethoxypurin-9-yl)oxypropan-1-ol (PubChem CID 22160570) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(2-amino-6-ethoxypurin-9-yl)oxypropan-1-ol.

Molecular Properties

Compound Name3-(2-amino-6-ethoxypurin-9-yl)oxypropan-1-ol
PubChem CID22160570
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name3-(2-amino-6-ethoxypurin-9-yl)oxypropan-1-ol
SMILESCCOc1nc(N)nc2c1ncn2OCCCO
InChIInChI=1S/C10H15N5O3/c1-2-17-9-7-8(13-10(11)14-9)15(6-12-7)18-5-3-4-16/h6,16H,2-5H2,1H3,(H2,11,13,14)
InChIKeyQYNZMQSAFSNVSA-UHFFFAOYSA-N
XLogP-0.38
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-amino-6-ethoxypurin-9-yl)oxypropan-1-ol?
The IUPAC name of 3-(2-amino-6-ethoxypurin-9-yl)oxypropan-1-ol (CID 22160570) is 3-(2-amino-6-ethoxypurin-9-yl)oxypropan-1-ol.
What is the SMILES notation for 3-(2-amino-6-ethoxypurin-9-yl)oxypropan-1-ol?
The canonical SMILES for 3-(2-amino-6-ethoxypurin-9-yl)oxypropan-1-ol is CCOc1nc(N)nc2c1ncn2OCCCO.
What is the InChIKey of 3-(2-amino-6-ethoxypurin-9-yl)oxypropan-1-ol?
The InChIKey is QYNZMQSAFSNVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-2-17-9-7-8(13-10(11)14-9)15(6-12-7)18-5-3-4-16/h6,16H,2-5H2,1H3,(H2,11,13,14).
What are the key properties of 3-(2-amino-6-ethoxypurin-9-yl)oxypropan-1-ol?
3-(2-amino-6-ethoxypurin-9-yl)oxypropan-1-ol has a molecular weight of 253.26 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-ethoxypurin-9-yl)oxypropan-1-ol is sourced from PubChem (CID 22160570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).