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

C9H12ClN3O2 — CID 114581892

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)butanamide
SMILESCCC(C(N)=O)n1c(C)nc(Cl)cc1=O
InChIInChI=1S/C9H12ClN3O2/c1-3-6(9(11)15)13-5(2)12-7(10)4-8(13)14/h4,6H,3H2,1-2H3,(H2,11,15)
InChIKeyFCQWQLBGWIGBGW-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.64
Rot. Bonds3

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

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)butanamide (PubChem CID 114581892) 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)butanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)butanamide
PubChem CID114581892
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)butanamide
SMILESCCC(C(N)=O)n1c(C)nc(Cl)cc1=O
InChIInChI=1S/C9H12ClN3O2/c1-3-6(9(11)15)13-5(2)12-7(10)4-8(13)14/h4,6H,3H2,1-2H3,(H2,11,15)
InChIKeyFCQWQLBGWIGBGW-UHFFFAOYSA-N
XLogP0.64
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(6-oxopyrimidin-1-yl)butanamide
CID 141040928
6-Chloro-2-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604146
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
2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604232
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)butanamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)butanamide (CID 114581892) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)butanamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)butanamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)butanamide is CCC(C(N)=O)n1c(C)nc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)butanamide?
The InChIKey is FCQWQLBGWIGBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-3-6(9(11)15)13-5(2)12-7(10)4-8(13)14/h4,6H,3H2,1-2H3,(H2,11,15).
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)butanamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)butanamide has a molecular weight of 229.67 g/mol, XLogP of 0.64, 3 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)butanamide is sourced from PubChem (CID 114581892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).