5-(pentoxymethyl)-1H-pyrimidine-2,4-dione

C10H16N2O3 — CID 14886443

IUPAC5-(pentoxymethyl)-1H-pyrimidine-2,4-dione
SMILESCCCCCOCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O3/c1-2-3-4-5-15-7-8-6-11-10(14)12-9(8)13/h6H,2-5,7H2,1H3,(H2,11,12,13,14)
InChIKeyODVRVXQIKJELHY-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.77
Rot. Bonds6

About 5-(pentoxymethyl)-1H-pyrimidine-2,4-dione

5-(pentoxymethyl)-1H-pyrimidine-2,4-dione (PubChem CID 14886443) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-(pentoxymethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(pentoxymethyl)-1H-pyrimidine-2,4-dione
PubChem CID14886443
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name5-(pentoxymethyl)-1H-pyrimidine-2,4-dione
SMILESCCCCCOCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O3/c1-2-3-4-5-15-7-8-6-11-10(14)12-9(8)13/h6H,2-5,7H2,1H3,(H2,11,12,13,14)
InChIKeyODVRVXQIKJELHY-UHFFFAOYSA-N
XLogP0.77
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-(pentoxymethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(pentoxymethyl)-1H-pyrimidine-2,4-dione (CID 14886443) is 5-(pentoxymethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(pentoxymethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(pentoxymethyl)-1H-pyrimidine-2,4-dione is CCCCCOCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(pentoxymethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is ODVRVXQIKJELHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-3-4-5-15-7-8-6-11-10(14)12-9(8)13/h6H,2-5,7H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-(pentoxymethyl)-1H-pyrimidine-2,4-dione?
5-(pentoxymethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 212.25 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pentoxymethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 14886443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).