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

C12H20N2O3 — CID 15334164

IUPAC5-(heptoxymethyl)-1H-pyrimidine-2,4-dione
SMILESCCCCCCCOCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H20N2O3/c1-2-3-4-5-6-7-17-9-10-8-13-12(16)14-11(10)15/h8H,2-7,9H2,1H3,(H2,13,14,15,16)
InChIKeyFZTNSXKLGUTRSE-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.55
Rot. Bonds8

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

5-(heptoxymethyl)-1H-pyrimidine-2,4-dione (PubChem CID 15334164) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 5-(heptoxymethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(heptoxymethyl)-1H-pyrimidine-2,4-dione
PubChem CID15334164
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name5-(heptoxymethyl)-1H-pyrimidine-2,4-dione
SMILESCCCCCCCOCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H20N2O3/c1-2-3-4-5-6-7-17-9-10-8-13-12(16)14-11(10)15/h8H,2-7,9H2,1H3,(H2,13,14,15,16)
InChIKeyFZTNSXKLGUTRSE-UHFFFAOYSA-N
XLogP1.55
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(heptoxymethyl)-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(heptoxymethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(heptoxymethyl)-1H-pyrimidine-2,4-dione (CID 15334164) is 5-(heptoxymethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(heptoxymethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(heptoxymethyl)-1H-pyrimidine-2,4-dione is CCCCCCCOCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(heptoxymethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is FZTNSXKLGUTRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-3-4-5-6-7-17-9-10-8-13-12(16)14-11(10)15/h8H,2-7,9H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-(heptoxymethyl)-1H-pyrimidine-2,4-dione?
5-(heptoxymethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 240.30 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(heptoxymethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 15334164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).