1-ethyl-6-methyl-5-nitro-3-propylpyrimidine-2,4-dione

C10H15N3O4 — CID 59833620

IUPAC1-ethyl-6-methyl-5-nitro-3-propylpyrimidine-2,4-dione
SMILESCCCn1c(=O)c([N+](=O)[O-])c(C)n(CC)c1=O
InChIInChI=1S/C10H15N3O4/c1-4-6-12-9(14)8(13(16)17)7(3)11(5-2)10(12)15/h4-6H2,1-3H3
InChIKeyOWAHOYKKKIEKPM-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.66
Rot. Bonds4

About 1-ethyl-6-methyl-5-nitro-3-propylpyrimidine-2,4-dione

1-ethyl-6-methyl-5-nitro-3-propylpyrimidine-2,4-dione (PubChem CID 59833620) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-ethyl-6-methyl-5-nitro-3-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-6-methyl-5-nitro-3-propylpyrimidine-2,4-dione
PubChem CID59833620
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name1-ethyl-6-methyl-5-nitro-3-propylpyrimidine-2,4-dione
SMILESCCCn1c(=O)c([N+](=O)[O-])c(C)n(CC)c1=O
InChIInChI=1S/C10H15N3O4/c1-4-6-12-9(14)8(13(16)17)7(3)11(5-2)10(12)15/h4-6H2,1-3H3
InChIKeyOWAHOYKKKIEKPM-UHFFFAOYSA-N
XLogP0.66
TPSA87.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-ethyl-6-methyl-5-nitro-3-propylpyrimidine-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-6-methyl-5-nitro-3-propylpyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-6-methyl-5-nitro-3-propylpyrimidine-2,4-dione (CID 59833620) is 1-ethyl-6-methyl-5-nitro-3-propylpyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-6-methyl-5-nitro-3-propylpyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-6-methyl-5-nitro-3-propylpyrimidine-2,4-dione is CCCn1c(=O)c([N+](=O)[O-])c(C)n(CC)c1=O.
What is the InChIKey of 1-ethyl-6-methyl-5-nitro-3-propylpyrimidine-2,4-dione?
The InChIKey is OWAHOYKKKIEKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-4-6-12-9(14)8(13(16)17)7(3)11(5-2)10(12)15/h4-6H2,1-3H3.
What are the key properties of 1-ethyl-6-methyl-5-nitro-3-propylpyrimidine-2,4-dione?
1-ethyl-6-methyl-5-nitro-3-propylpyrimidine-2,4-dione has a molecular weight of 241.25 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-5-nitro-3-propylpyrimidine-2,4-dione is sourced from PubChem (CID 59833620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).