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

C7H8ClN3O2 — CID 114582053

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)propanamide
SMILESCC(C(N)=O)n1cnc(Cl)cc1=O
InChIInChI=1S/C7H8ClN3O2/c1-4(7(9)13)11-3-10-5(8)2-6(11)12/h2-4H,1H3,(H2,9,13)
InChIKeyPWUPMMVTKWELMX-UHFFFAOYSA-N
MW201.61 g/mol
LogP-0.06
Rot. Bonds2

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

2-(4-chloro-6-oxopyrimidin-1-yl)propanamide (PubChem CID 114582053) has the molecular formula C7H8ClN3O2 and a molecular weight of 201.61 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)propanamide
PubChem CID114582053
Molecular FormulaC7H8ClN3O2
Molecular Weight201.61 g/mol
Exact Mass201.03
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)propanamide
SMILESCC(C(N)=O)n1cnc(Cl)cc1=O
InChIInChI=1S/C7H8ClN3O2/c1-4(7(9)13)11-3-10-5(8)2-6(11)12/h2-4H,1H3,(H2,9,13)
InChIKeyPWUPMMVTKWELMX-UHFFFAOYSA-N
XLogP-0.06
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 ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-3-isopropylpyrimidin-4(3h)-one
CID 114582242
(2S)-2-(6-oxopyrimidin-1-yl)butanamide
CID 141040928
2-(4-Methyl-6-oxo-1,6-dihydropyrimidin-1-yl)acetamide
CID 61722758
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604200
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-(4-Chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 114581626
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propylpropanamide
CID 114581632
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
N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 114581678

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)propanamide (CID 114582053) is 2-(4-chloro-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)propanamide is CC(C(N)=O)n1cnc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is PWUPMMVTKWELMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O2/c1-4(7(9)13)11-3-10-5(8)2-6(11)12/h2-4H,1H3,(H2,9,13).
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)propanamide?
2-(4-chloro-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 201.61 g/mol, XLogP of -0.06, 2 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)propanamide is sourced from PubChem (CID 114582053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).