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

C8H12N2O3 — CID 3116144

IUPAC5-(propoxymethyl)-1H-pyrimidine-2,4-dione
SMILESCCCOCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O3/c1-2-3-13-5-6-4-9-8(12)10-7(6)11/h4H,2-3,5H2,1H3,(H2,9,10,11,12)
InChIKeyUHJPPGJFXXLZDH-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.01
Rot. Bonds4

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

5-(propoxymethyl)-1H-pyrimidine-2,4-dione (PubChem CID 3116144) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 5-(propoxymethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(propoxymethyl)-1H-pyrimidine-2,4-dione
PubChem CID3116144
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name5-(propoxymethyl)-1H-pyrimidine-2,4-dione
SMILESCCCOCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O3/c1-2-3-13-5-6-4-9-8(12)10-7(6)11/h4H,2-3,5H2,1H3,(H2,9,10,11,12)
InChIKeyUHJPPGJFXXLZDH-UHFFFAOYSA-N
XLogP-0.01
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.01
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-(propoxymethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(propoxymethyl)-1H-pyrimidine-2,4-dione (CID 3116144) is 5-(propoxymethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(propoxymethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(propoxymethyl)-1H-pyrimidine-2,4-dione is CCCOCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(propoxymethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is UHJPPGJFXXLZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-2-3-13-5-6-4-9-8(12)10-7(6)11/h4H,2-3,5H2,1H3,(H2,9,10,11,12).
What are the key properties of 5-(propoxymethyl)-1H-pyrimidine-2,4-dione?
5-(propoxymethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 184.19 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propoxymethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3116144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).