2-chloro-N-[1-(2-methylpyrimidin-4-yl)ethyl]acetamide

C9H12ClN3O — CID 146094635

IUPAC2-chloro-N-[1-(2-methylpyrimidin-4-yl)ethyl]acetamide
SMILESCc1nccc(C(C)NC(=O)CCl)n1
InChIInChI=1S/C9H12ClN3O/c1-6(12-9(14)5-10)8-3-4-11-7(2)13-8/h3-4,6H,5H2,1-2H3,(H,12,14)
InChIKeyUILSKIZCTKQKGD-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.20
Rot. Bonds3

About 2-chloro-N-[1-(2-methylpyrimidin-4-yl)ethyl]acetamide

2-chloro-N-[1-(2-methylpyrimidin-4-yl)ethyl]acetamide (PubChem CID 146094635) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-methylpyrimidin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-methylpyrimidin-4-yl)ethyl]acetamide
PubChem CID146094635
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name2-chloro-N-[1-(2-methylpyrimidin-4-yl)ethyl]acetamide
SMILESCc1nccc(C(C)NC(=O)CCl)n1
InChIInChI=1S/C9H12ClN3O/c1-6(12-9(14)5-10)8-3-4-11-7(2)13-8/h3-4,6H,5H2,1-2H3,(H,12,14)
InChIKeyUILSKIZCTKQKGD-UHFFFAOYSA-N
XLogP1.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]acetamide
CID 167829999
4-(3-chlorobutan-2-yl)-2-methylpyrimidine
CID 63203304
2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide
CID 141483840
3-amino-3-(2-methylpyrimidin-4-yl)propanamide
CID 115527138
2-chloro-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 118497793
N-[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]propanamide
CID 154832906
4-methyl-3-(2-methylpyrimidin-4-yl)pentan-2-ol
CID 63200606
ethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate
CID 115527131
N-[1-(2-methylpyrimidin-4-yl)ethyl]thietan-3-amine
CID 131047742
2-chloro-N-(1-thiophen-3-ylethyl)acetamide
CID 62842251
3-hydroxy-3-(2-methylpyrimidin-4-yl)propanal
CID 114795373
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-methylpyrimidin-4-yl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[1-(2-methylpyrimidin-4-yl)ethyl]acetamide (CID 146094635) is 2-chloro-N-[1-(2-methylpyrimidin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(2-methylpyrimidin-4-yl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(2-methylpyrimidin-4-yl)ethyl]acetamide is Cc1nccc(C(C)NC(=O)CCl)n1.
What is the InChIKey of 2-chloro-N-[1-(2-methylpyrimidin-4-yl)ethyl]acetamide?
The InChIKey is UILSKIZCTKQKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-6(12-9(14)5-10)8-3-4-11-7(2)13-8/h3-4,6H,5H2,1-2H3,(H,12,14).
What are the key properties of 2-chloro-N-[1-(2-methylpyrimidin-4-yl)ethyl]acetamide?
2-chloro-N-[1-(2-methylpyrimidin-4-yl)ethyl]acetamide has a molecular weight of 213.67 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-methylpyrimidin-4-yl)ethyl]acetamide is sourced from PubChem (CID 146094635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).