8-pentoxy-3,7-dihydropurine-2,6-dione

C10H14N4O3 — CID 175770858

IUPAC8-pentoxy-3,7-dihydropurine-2,6-dione
SMILESCCCCCOc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1
InChIInChI=1S/C10H14N4O3/c1-2-3-4-5-17-10-11-6-7(13-10)12-9(16)14-8(6)15/h2-5H2,1H3,(H3,11,12,13,14,15,16)
InChIKeyHUYNVCSTVDRHBN-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.51
Rot. Bonds5

About 8-pentoxy-3,7-dihydropurine-2,6-dione

8-pentoxy-3,7-dihydropurine-2,6-dione (PubChem CID 175770858) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 8-pentoxy-3,7-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-pentoxy-3,7-dihydropurine-2,6-dione
PubChem CID175770858
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name8-pentoxy-3,7-dihydropurine-2,6-dione
SMILESCCCCCOc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1
InChIInChI=1S/C10H14N4O3/c1-2-3-4-5-17-10-11-6-7(13-10)12-9(16)14-8(6)15/h2-5H2,1H3,(H3,11,12,13,14,15,16)
InChIKeyHUYNVCSTVDRHBN-UHFFFAOYSA-N
XLogP0.51
TPSA103.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 8-pentoxy-3,7-dihydropurine-2,6-dione?
The IUPAC name of 8-pentoxy-3,7-dihydropurine-2,6-dione (CID 175770858) is 8-pentoxy-3,7-dihydropurine-2,6-dione.
What is the SMILES notation for 8-pentoxy-3,7-dihydropurine-2,6-dione?
The canonical SMILES for 8-pentoxy-3,7-dihydropurine-2,6-dione is CCCCCOc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1.
What is the InChIKey of 8-pentoxy-3,7-dihydropurine-2,6-dione?
The InChIKey is HUYNVCSTVDRHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-2-3-4-5-17-10-11-6-7(13-10)12-9(16)14-8(6)15/h2-5H2,1H3,(H3,11,12,13,14,15,16).
What are the key properties of 8-pentoxy-3,7-dihydropurine-2,6-dione?
8-pentoxy-3,7-dihydropurine-2,6-dione has a molecular weight of 238.25 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pentoxy-3,7-dihydropurine-2,6-dione is sourced from PubChem (CID 175770858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).