2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide

C9H11BrClN3O2 — CID 114583394

IUPAC2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C9H11BrClN3O2/c1-5(8(15)13(2)3)14-4-12-7(11)6(10)9(14)16/h4-5H,1-3H3
InChIKeyCWUACESUBIVUPH-UHFFFAOYSA-N
MW308.56 g/mol
LogP1.31
Rot. Bonds2

About 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide

2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide (PubChem CID 114583394) has the molecular formula C9H11BrClN3O2 and a molecular weight of 308.56 g/mol. Its IUPAC name is 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
PubChem CID114583394
Molecular FormulaC9H11BrClN3O2
Molecular Weight308.56 g/mol
Exact Mass306.97
IUPAC Name2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C9H11BrClN3O2/c1-5(8(15)13(2)3)14-4-12-7(11)6(10)9(14)16/h4-5H,1-3H3
InChIKeyCWUACESUBIVUPH-UHFFFAOYSA-N
XLogP1.31
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.56
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
CID 66308123
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 66308760
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
CID 66308959
2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 66309573
2-(5-bromo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 66309578
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 66309630
2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 66309788
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 66309839
5-Bromo-6-chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885730
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604308
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604367
5-Bromo-6-chloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604370

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The IUPAC name of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide (CID 114583394) is 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide is CC(C(=O)N(C)C)n1cnc(Cl)c(Br)c1=O.
What is the InChIKey of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The InChIKey is CWUACESUBIVUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN3O2/c1-5(8(15)13(2)3)14-4-12-7(11)6(10)9(14)16/h4-5H,1-3H3.
What are the key properties of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide has a molecular weight of 308.56 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 114583394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).