5-fluoro-2,4-dioxo-N-(5,5,6,6,6-pentadeuteriohexyl)pyrimidine-1-carboxamide

C11H16FN3O3 — CID 53380026

IUPAC5-fluoro-2,4-dioxo-N-(5,5,6,6,6-pentadeuteriohexyl)pyrimidine-1-carboxamide
SMILES[2H]C([2H])([2H])C([2H])([2H])CCCCNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)/i1D3,2D2
InChIKeyAOCCBINRVIKJHY-ZBJDZAJPSA-N
MW262.30 g/mol
LogP0.81
Rot. Bonds6

About 5-fluoro-2,4-dioxo-N-(5,5,6,6,6-pentadeuteriohexyl)pyrimidine-1-carboxamide

5-fluoro-2,4-dioxo-N-(5,5,6,6,6-pentadeuteriohexyl)pyrimidine-1-carboxamide (PubChem CID 53380026) has the molecular formula C11H16FN3O3 and a molecular weight of 262.30 g/mol. Its IUPAC name is 5-fluoro-2,4-dioxo-N-(5,5,6,6,6-pentadeuteriohexyl)pyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-2,4-dioxo-N-(5,5,6,6,6-pentadeuteriohexyl)pyrimidine-1-carboxamide
PubChem CID53380026
Molecular FormulaC11H16FN3O3
Molecular Weight262.30 g/mol
Exact Mass262.15
IUPAC Name5-fluoro-2,4-dioxo-N-(5,5,6,6,6-pentadeuteriohexyl)pyrimidine-1-carboxamide
SMILES[2H]C([2H])([2H])C([2H])([2H])CCCCNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)/i1D3,2D2
InChIKeyAOCCBINRVIKJHY-ZBJDZAJPSA-N
XLogP0.81
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-fluoro-2,4-dioxo-N-(5,5,6,6,6-pentadeuteriohexyl)pyrimidine-1-carboxamide 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-fluoro-2,4-dioxo-N-(5,5,6,6,6-pentadeuteriohexyl)pyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-2,4-dioxo-N-(5,5,6,6,6-pentadeuteriohexyl)pyrimidine-1-carboxamide (CID 53380026) is 5-fluoro-2,4-dioxo-N-(5,5,6,6,6-pentadeuteriohexyl)pyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-2,4-dioxo-N-(5,5,6,6,6-pentadeuteriohexyl)pyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-2,4-dioxo-N-(5,5,6,6,6-pentadeuteriohexyl)pyrimidine-1-carboxamide is [2H]C([2H])([2H])C([2H])([2H])CCCCNC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-2,4-dioxo-N-(5,5,6,6,6-pentadeuteriohexyl)pyrimidine-1-carboxamide?
The InChIKey is AOCCBINRVIKJHY-ZBJDZAJPSA-N. The full InChI is InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)/i1D3,2D2.
What are the key properties of 5-fluoro-2,4-dioxo-N-(5,5,6,6,6-pentadeuteriohexyl)pyrimidine-1-carboxamide?
5-fluoro-2,4-dioxo-N-(5,5,6,6,6-pentadeuteriohexyl)pyrimidine-1-carboxamide has a molecular weight of 262.30 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dioxo-N-(5,5,6,6,6-pentadeuteriohexyl)pyrimidine-1-carboxamide is sourced from PubChem (CID 53380026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).