2-(2-chloropyrimidin-4-yl)acetamide

C6H6ClN3O — CID 83814922

IUPAC2-(2-chloropyrimidin-4-yl)acetamide
SMILESNC(=O)Cc1ccnc(Cl)n1
InChIInChI=1S/C6H6ClN3O/c7-6-9-2-1-4(10-6)3-5(8)11/h1-2H,3H2,(H2,8,11)
InChIKeyHRAQCCAJQSNSNZ-UHFFFAOYSA-N
MW171.59 g/mol
LogP0.16
Rot. Bonds2

About 2-(2-chloropyrimidin-4-yl)acetamide

2-(2-chloropyrimidin-4-yl)acetamide (PubChem CID 83814922) has the molecular formula C6H6ClN3O and a molecular weight of 171.59 g/mol. Its IUPAC name is 2-(2-chloropyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloropyrimidin-4-yl)acetamide
PubChem CID83814922
Molecular FormulaC6H6ClN3O
Molecular Weight171.59 g/mol
Exact Mass171.02
IUPAC Name2-(2-chloropyrimidin-4-yl)acetamide
SMILESNC(=O)Cc1ccnc(Cl)n1
InChIInChI=1S/C6H6ClN3O/c7-6-9-2-1-4(10-6)3-5(8)11/h1-2H,3H2,(H2,8,11)
InChIKeyHRAQCCAJQSNSNZ-UHFFFAOYSA-N
XLogP0.16
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.59
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropyrimidin-4-yl)acetamide?
The IUPAC name of 2-(2-chloropyrimidin-4-yl)acetamide (CID 83814922) is 2-(2-chloropyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-chloropyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(2-chloropyrimidin-4-yl)acetamide is NC(=O)Cc1ccnc(Cl)n1.
What is the InChIKey of 2-(2-chloropyrimidin-4-yl)acetamide?
The InChIKey is HRAQCCAJQSNSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O/c7-6-9-2-1-4(10-6)3-5(8)11/h1-2H,3H2,(H2,8,11).
What are the key properties of 2-(2-chloropyrimidin-4-yl)acetamide?
2-(2-chloropyrimidin-4-yl)acetamide has a molecular weight of 171.59 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropyrimidin-4-yl)acetamide is sourced from PubChem (CID 83814922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).