2,2-dichloro-N-(4,6-dichloropyrimidin-5-yl)acetamide

C6H3Cl4N3O — CID 127052985

IUPAC2,2-dichloro-N-(4,6-dichloropyrimidin-5-yl)acetamide
SMILESO=C(Nc1c(Cl)ncnc1Cl)C(Cl)Cl
InChIInChI=1S/C6H3Cl4N3O/c7-3(8)6(14)13-2-4(9)11-1-12-5(2)10/h1,3H,(H,13,14)
InChIKeyYCGZURXMDQGIFH-UHFFFAOYSA-N
MW274.92 g/mol
LogP2.53
Rot. Bonds2

About 2,2-dichloro-N-(4,6-dichloropyrimidin-5-yl)acetamide

2,2-dichloro-N-(4,6-dichloropyrimidin-5-yl)acetamide (PubChem CID 127052985) has the molecular formula C6H3Cl4N3O and a molecular weight of 274.92 g/mol. Its IUPAC name is 2,2-dichloro-N-(4,6-dichloropyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(4,6-dichloropyrimidin-5-yl)acetamide
PubChem CID127052985
Molecular FormulaC6H3Cl4N3O
Molecular Weight274.92 g/mol
Exact Mass272.90
IUPAC Name2,2-dichloro-N-(4,6-dichloropyrimidin-5-yl)acetamide
SMILESO=C(Nc1c(Cl)ncnc1Cl)C(Cl)Cl
InChIInChI=1S/C6H3Cl4N3O/c7-3(8)6(14)13-2-4(9)11-1-12-5(2)10/h1,3H,(H,13,14)
InChIKeyYCGZURXMDQGIFH-UHFFFAOYSA-N
XLogP2.53
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.92
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-N-(4,6-dichloropyrimidin-5-yl)acetamide 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 2,2-dichloro-N-(4,6-dichloropyrimidin-5-yl)acetamide?
The IUPAC name of 2,2-dichloro-N-(4,6-dichloropyrimidin-5-yl)acetamide (CID 127052985) is 2,2-dichloro-N-(4,6-dichloropyrimidin-5-yl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-(4,6-dichloropyrimidin-5-yl)acetamide?
The canonical SMILES for 2,2-dichloro-N-(4,6-dichloropyrimidin-5-yl)acetamide is O=C(Nc1c(Cl)ncnc1Cl)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(4,6-dichloropyrimidin-5-yl)acetamide?
The InChIKey is YCGZURXMDQGIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl4N3O/c7-3(8)6(14)13-2-4(9)11-1-12-5(2)10/h1,3H,(H,13,14).
What are the key properties of 2,2-dichloro-N-(4,6-dichloropyrimidin-5-yl)acetamide?
2,2-dichloro-N-(4,6-dichloropyrimidin-5-yl)acetamide has a molecular weight of 274.92 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(4,6-dichloropyrimidin-5-yl)acetamide is sourced from PubChem (CID 127052985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).