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

C8H10ClN3O2 — CID 114581626

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
SMILESCc1nc(Cl)cc(=O)n1C(C)C(N)=O
InChIInChI=1S/C8H10ClN3O2/c1-4(8(10)14)12-5(2)11-6(9)3-7(12)13/h3-4H,1-2H3,(H2,10,14)
InChIKeyVTODIJSZFNRJML-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.25
Rot. Bonds2

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

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide (PubChem CID 114581626) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
PubChem CID114581626
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
SMILESCc1nc(Cl)cc(=O)n1C(C)C(N)=O
InChIInChI=1S/C8H10ClN3O2/c1-4(8(10)14)12-5(2)11-6(9)3-7(12)13/h3-4H,1-2H3,(H2,10,14)
InChIKeyVTODIJSZFNRJML-UHFFFAOYSA-N
XLogP0.25
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.25
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-(2,4-Dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 63770273
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 113604157
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-cyclopentylpropanamide
CID 113604170
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-(ethylcarbamoyl)propanamide
CID 113604177
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-cyclopentylacetamide
CID 113604189
N-butan-2-yl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 113604489
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 113604502
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)propanamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide (CID 114581626) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide is Cc1nc(Cl)cc(=O)n1C(C)C(N)=O.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is VTODIJSZFNRJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-4(8(10)14)12-5(2)11-6(9)3-7(12)13/h3-4H,1-2H3,(H2,10,14).
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 215.64 g/mol, XLogP of 0.25, 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)propanamide is sourced from PubChem (CID 114581626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).