2-chloro-N-pyrimidin-2-ylacetamide

C6H6ClN3O — CID 679171

IUPAC2-chloro-N-pyrimidin-2-ylacetamide
SMILESO=C(CCl)Nc1ncccn1
InChIInChI=1S/C6H6ClN3O/c7-4-5(11)10-6-8-2-1-3-9-6/h1-3H,4H2,(H,8,9,10,11)
InChIKeyJHKOSWFVNOWHEU-UHFFFAOYSA-N
MW171.59 g/mol
LogP0.65
Rot. Bonds2

About 2-chloro-N-pyrimidin-2-ylacetamide

2-chloro-N-pyrimidin-2-ylacetamide (PubChem CID 679171) has the molecular formula C6H6ClN3O and a molecular weight of 171.59 g/mol. Its IUPAC name is 2-chloro-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-chloro-N-pyrimidin-2-ylacetamide
PubChem CID679171
Molecular FormulaC6H6ClN3O
Molecular Weight171.59 g/mol
Exact Mass171.02
IUPAC Name2-chloro-N-pyrimidin-2-ylacetamide
SMILESO=C(CCl)Nc1ncccn1
InChIInChI=1S/C6H6ClN3O/c7-4-5(11)10-6-8-2-1-3-9-6/h1-3H,4H2,(H,8,9,10,11)
InChIKeyJHKOSWFVNOWHEU-UHFFFAOYSA-N
XLogP0.65
TPSA54.88 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 ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-pyrimidin-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Acetamidopyrimidine
CID 273584
N-(2-Pyrimidinyl)-formamide
CID 255580
N-(pyrimidin-2-yl)prop-2-enamide
CID 43616335
1-Ethyl-3-pyrimidin-2-ylurea
CID 90654975
2,2-dimethyl-N-(pyrimidin-2-yl)propanamide
CID 3524781
N-(2-pyrimidyl) butanamide
CID 4220870
3-methyl-N-pyrimidin-2-ylbutanamide
CID 4380196
N-(Pyrimidin-4-yl)acetamide
CID 316978
2-(Chloromethyl)pyrimidin-4-amine
CID 21298827
N-[4-(Trimethylstannyl)-2-pyrimidinyl]acetamide
CID 11483414
2,2,2-trifluoro-N-pyrimidin-2-ylacetamide
CID 266340
2-cyano-N-(pyrimidin-2-yl)acetamide
CID 4577017

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-chloro-N-pyrimidin-2-ylacetamide (CID 679171) is 2-chloro-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-chloro-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-chloro-N-pyrimidin-2-ylacetamide is O=C(CCl)Nc1ncccn1.
What is the InChIKey of 2-chloro-N-pyrimidin-2-ylacetamide?
The InChIKey is JHKOSWFVNOWHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O/c7-4-5(11)10-6-8-2-1-3-9-6/h1-3H,4H2,(H,8,9,10,11).
What are the key properties of 2-chloro-N-pyrimidin-2-ylacetamide?
2-chloro-N-pyrimidin-2-ylacetamide has a molecular weight of 171.59 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 679171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).