2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide

C9H12ClN3O2 — CID 114581825

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
SMILESCNC(=O)C(C)n1c(C)nc(Cl)cc1=O
InChIInChI=1S/C9H12ClN3O2/c1-5(9(15)11-3)13-6(2)12-7(10)4-8(13)14/h4-5H,1-3H3,(H,11,15)
InChIKeyLAGCYUILFYEOAZ-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.51
Rot. Bonds2

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

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide (PubChem CID 114581825) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
PubChem CID114581825
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
SMILESCNC(=O)C(C)n1c(C)nc(Cl)cc1=O
InChIInChI=1S/C9H12ClN3O2/c1-5(9(15)11-3)13-6(2)12-7(10)4-8(13)14/h4-5H,1-3H3,(H,11,15)
InChIKeyLAGCYUILFYEOAZ-UHFFFAOYSA-N
XLogP0.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.51
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
2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114585012
2-Methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one
CID 20671584
N-butan-2-yl-6-oxo-1H-pyrimidine-2-carboxamide
CID 172999736
6-oxo-N-propan-2-yl-1H-pyrimidine-2-carboxamide
CID 172999971
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide (CID 114581825) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide is CNC(=O)C(C)n1c(C)nc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The InChIKey is LAGCYUILFYEOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-5(9(15)11-3)13-6(2)12-7(10)4-8(13)14/h4-5H,1-3H3,(H,11,15).
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide has a molecular weight of 229.67 g/mol, XLogP of 0.51, 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)-N-methylpropanamide is sourced from PubChem (CID 114581825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).