1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione

C10H15N3O6 — CID 63798898

IUPAC1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione
SMILESCCn1cc([N+](=O)[O-])c(=O)n(CCOCCO)c1=O
InChIInChI=1S/C10H15N3O6/c1-2-11-7-8(13(17)18)9(15)12(10(11)16)3-5-19-6-4-14/h7,14H,2-6H2,1H3
InChIKeyCKOAFDBQBBOUKB-UHFFFAOYSA-N
MW273.25 g/mol
LogP-1.05
Rot. Bonds7

About 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione

1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione (PubChem CID 63798898) has the molecular formula C10H15N3O6 and a molecular weight of 273.25 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione
PubChem CID63798898
Molecular FormulaC10H15N3O6
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione
SMILESCCn1cc([N+](=O)[O-])c(=O)n(CCOCCO)c1=O
InChIInChI=1S/C10H15N3O6/c1-2-11-7-8(13(17)18)9(15)12(10(11)16)3-5-19-6-4-14/h7,14H,2-6H2,1H3
InChIKeyCKOAFDBQBBOUKB-UHFFFAOYSA-N
XLogP-1.05
TPSA116.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-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 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione (CID 63798898) is 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione is CCn1cc([N+](=O)[O-])c(=O)n(CCOCCO)c1=O.
What is the InChIKey of 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione?
The InChIKey is CKOAFDBQBBOUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O6/c1-2-11-7-8(13(17)18)9(15)12(10(11)16)3-5-19-6-4-14/h7,14H,2-6H2,1H3.
What are the key properties of 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione?
1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione has a molecular weight of 273.25 g/mol, XLogP of -1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione is sourced from PubChem (CID 63798898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).