2-(2,6-dichloropyrimidin-4-yl)acetamide

C6H5Cl2N3O — CID 91375019

IUPAC2-(2,6-dichloropyrimidin-4-yl)acetamide
SMILESNC(=O)Cc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C6H5Cl2N3O/c7-4-1-3(2-5(9)12)10-6(8)11-4/h1H,2H2,(H2,9,12)
InChIKeyFUVVZDPQJGQJGG-UHFFFAOYSA-N
MW206.03 g/mol
LogP0.81
Rot. Bonds2

About 2-(2,6-dichloropyrimidin-4-yl)acetamide

2-(2,6-dichloropyrimidin-4-yl)acetamide (PubChem CID 91375019) has the molecular formula C6H5Cl2N3O and a molecular weight of 206.03 g/mol. Its IUPAC name is 2-(2,6-dichloropyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-dichloropyrimidin-4-yl)acetamide
PubChem CID91375019
Molecular FormulaC6H5Cl2N3O
Molecular Weight206.03 g/mol
Exact Mass204.98
IUPAC Name2-(2,6-dichloropyrimidin-4-yl)acetamide
SMILESNC(=O)Cc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C6H5Cl2N3O/c7-4-1-3(2-5(9)12)10-6(8)11-4/h1H,2H2,(H2,9,12)
InChIKeyFUVVZDPQJGQJGG-UHFFFAOYSA-N
XLogP0.81
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.03
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloropyrimidin-4-yl)acetamide?
The IUPAC name of 2-(2,6-dichloropyrimidin-4-yl)acetamide (CID 91375019) is 2-(2,6-dichloropyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(2,6-dichloropyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(2,6-dichloropyrimidin-4-yl)acetamide is NC(=O)Cc1cc(Cl)nc(Cl)n1.
What is the InChIKey of 2-(2,6-dichloropyrimidin-4-yl)acetamide?
The InChIKey is FUVVZDPQJGQJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N3O/c7-4-1-3(2-5(9)12)10-6(8)11-4/h1H,2H2,(H2,9,12).
What are the key properties of 2-(2,6-dichloropyrimidin-4-yl)acetamide?
2-(2,6-dichloropyrimidin-4-yl)acetamide has a molecular weight of 206.03 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloropyrimidin-4-yl)acetamide is sourced from PubChem (CID 91375019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).