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

C9H11BrClN3O2 — CID 114583580

IUPAC2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C9H11BrClN3O2/c1-3-12-8(15)5(2)14-4-13-7(11)6(10)9(14)16/h4-5H,3H2,1-2H3,(H,12,15)
InChIKeyZEQCLAVZVWRRMC-UHFFFAOYSA-N
MW308.56 g/mol
LogP1.36
Rot. Bonds3

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

2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide (PubChem CID 114583580) 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-ethylpropanamide.

Molecular Properties

Compound Name2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
PubChem CID114583580
Molecular FormulaC9H11BrClN3O2
Molecular Weight308.56 g/mol
Exact Mass306.97
IUPAC Name2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C9H11BrClN3O2/c1-3-12-8(15)5(2)14-4-13-7(11)6(10)9(14)16/h4-5H,3H2,1-2H3,(H,12,15)
InChIKeyZEQCLAVZVWRRMC-UHFFFAOYSA-N
XLogP1.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.56
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-chloro-3-propan-2-ylpyrimidin-4-one
CID 114583536
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 114584085
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 114585430
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 114585324
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
CID 114585409
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-phenylpropanamide
CID 114582799
2-(3-amino-1,2,4-triazol-1-yl)-N-ethylpropanamide
CID 60910688
1-[1-(ethylamino)-1-oxopropan-2-yl]benzimidazole-4-carboxylic acid
CID 113332225
2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide
CID 114435614
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 114583334
2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide
CID 114582373
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114582538

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The IUPAC name of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide (CID 114583580) is 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The canonical SMILES for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide is CCNC(=O)C(C)n1cnc(Cl)c(Br)c1=O.
What is the InChIKey of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The InChIKey is ZEQCLAVZVWRRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN3O2/c1-3-12-8(15)5(2)14-4-13-7(11)6(10)9(14)16/h4-5H,3H2,1-2H3,(H,12,15).
What are the key properties of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide has a molecular weight of 308.56 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 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-ethylpropanamide is sourced from PubChem (CID 114583580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).