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

C8H10ClN3O2 — CID 114582331

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)butanamide
SMILESCCC(C(N)=O)n1cnc(Cl)cc1=O
InChIInChI=1S/C8H10ClN3O2/c1-2-5(8(10)14)12-4-11-6(9)3-7(12)13/h3-5H,2H2,1H3,(H2,10,14)
InChIKeyFNQMESWLCYTJPQ-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.33
Rot. Bonds3

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

2-(4-chloro-6-oxopyrimidin-1-yl)butanamide (PubChem CID 114582331) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)butanamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)butanamide
PubChem CID114582331
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)butanamide
SMILESCCC(C(N)=O)n1cnc(Cl)cc1=O
InChIInChI=1S/C8H10ClN3O2/c1-2-5(8(10)14)12-4-11-6(9)3-7(12)13/h3-5H,2H2,1H3,(H2,10,14)
InChIKeyFNQMESWLCYTJPQ-UHFFFAOYSA-N
XLogP0.33
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(6-oxopyrimidin-1-yl)butanamide
CID 141040928
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604200
6-Chloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604205
2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604232
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)propanamide
CID 113604243
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604252
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butylpropanamide
CID 113604264
2-(4-Chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 114581626
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propylpropanamide
CID 114581632
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 114581636
N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 114581660
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114581671

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)butanamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)butanamide (CID 114582331) is 2-(4-chloro-6-oxopyrimidin-1-yl)butanamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)butanamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)butanamide is CCC(C(N)=O)n1cnc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)butanamide?
The InChIKey is FNQMESWLCYTJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-2-5(8(10)14)12-4-11-6(9)3-7(12)13/h3-5H,2H2,1H3,(H2,10,14).
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)butanamide?
2-(4-chloro-6-oxopyrimidin-1-yl)butanamide has a molecular weight of 215.64 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-oxopyrimidin-1-yl)butanamide is sourced from PubChem (CID 114582331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).