2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide

C7H8ClN3O2 — CID 114581763

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1nc(Cl)cc(=O)n1CC(N)=O
InChIInChI=1S/C7H8ClN3O2/c1-4-10-5(8)2-7(13)11(4)3-6(9)12/h2H,3H2,1H3,(H2,9,12)
InChIKeyADTDFBMNVVWTJX-UHFFFAOYSA-N
MW201.61 g/mol
LogP-0.31
Rot. Bonds2

About 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 114581763) has the molecular formula C7H8ClN3O2 and a molecular weight of 201.61 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID114581763
Molecular FormulaC7H8ClN3O2
Molecular Weight201.61 g/mol
Exact Mass201.03
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1nc(Cl)cc(=O)n1CC(N)=O
InChIInChI=1S/C7H8ClN3O2/c1-4-10-5(8)2-7(13)11(4)3-6(9)12/h2H,3H2,1H3,(H2,9,12)
InChIKeyADTDFBMNVVWTJX-UHFFFAOYSA-N
XLogP-0.31
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113604180
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113604521
6-Chloro-3-ethyl-2-methylpyrimidin-4-one
CID 114581811
4-Amino-6-oxo-1-propylpyrimidine-2-carboxamide
CID 173128226
2-(2,4-Dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 63770273
5-Amino-6-chloro-2,3-dimethyl-3,4-dihydropyrimidin-4-one
CID 83874190
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 113604166
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 113604171
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604185
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 113604190
N-butan-2-yl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 113604489
N-tert-butyl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 113604526

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide (CID 114581763) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide is Cc1nc(Cl)cc(=O)n1CC(N)=O.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is ADTDFBMNVVWTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O2/c1-4-10-5(8)2-7(13)11(4)3-6(9)12/h2H,3H2,1H3,(H2,9,12).
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 201.61 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 114581763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).