2-chloro-N-(5-methylpyrimidin-2-yl)acetamide

C7H8ClN3O — CID 167977680

IUPAC2-chloro-N-(5-methylpyrimidin-2-yl)acetamide
SMILESCc1cnc(NC(=O)CCl)nc1
InChIInChI=1S/C7H8ClN3O/c1-5-3-9-7(10-4-5)11-6(12)2-8/h3-4H,2H2,1H3,(H,9,10,11,12)
InChIKeyXUFUPLBPOVVPOO-UHFFFAOYSA-N
MW185.61 g/mol
LogP0.96
Rot. Bonds2

About 2-chloro-N-(5-methylpyrimidin-2-yl)acetamide

2-chloro-N-(5-methylpyrimidin-2-yl)acetamide (PubChem CID 167977680) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is 2-chloro-N-(5-methylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(5-methylpyrimidin-2-yl)acetamide
PubChem CID167977680
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC Name2-chloro-N-(5-methylpyrimidin-2-yl)acetamide
SMILESCc1cnc(NC(=O)CCl)nc1
InChIInChI=1S/C7H8ClN3O/c1-5-3-9-7(10-4-5)11-6(12)2-8/h3-4H,2H2,1H3,(H,9,10,11,12)
InChIKeyXUFUPLBPOVVPOO-UHFFFAOYSA-N
XLogP0.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methylpyrimidin-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(5-methylpyrimidin-2-yl)acetamide (CID 167977680) is 2-chloro-N-(5-methylpyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(5-methylpyrimidin-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(5-methylpyrimidin-2-yl)acetamide is Cc1cnc(NC(=O)CCl)nc1.
What is the InChIKey of 2-chloro-N-(5-methylpyrimidin-2-yl)acetamide?
The InChIKey is XUFUPLBPOVVPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O/c1-5-3-9-7(10-4-5)11-6(12)2-8/h3-4H,2H2,1H3,(H,9,10,11,12).
What are the key properties of 2-chloro-N-(5-methylpyrimidin-2-yl)acetamide?
2-chloro-N-(5-methylpyrimidin-2-yl)acetamide has a molecular weight of 185.61 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 167977680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).