3-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide

C9H12BrN3O2 — CID 66307871

IUPAC3-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCn1cncc(Br)c1=O
InChIInChI=1S/C9H12BrN3O2/c1-12(2)8(14)3-4-13-6-11-5-7(10)9(13)15/h5-6H,3-4H2,1-2H3
InChIKeyLHNSVCRSUIPSGJ-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.48
Rot. Bonds3

About 3-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide

3-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide (PubChem CID 66307871) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 3-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
PubChem CID66307871
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name3-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCn1cncc(Br)c1=O
InChIInChI=1S/C9H12BrN3O2/c1-12(2)8(14)3-4-13-6-11-5-7(10)9(13)15/h5-6H,3-4H2,1-2H3
InChIKeyLHNSVCRSUIPSGJ-UHFFFAOYSA-N
XLogP0.48
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide (CID 66307871) is 3-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide is CN(C)C(=O)CCn1cncc(Br)c1=O.
What is the InChIKey of 3-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The InChIKey is LHNSVCRSUIPSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c1-12(2)8(14)3-4-13-6-11-5-7(10)9(13)15/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
3-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide has a molecular weight of 274.12 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 66307871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).