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

C10H13BrClN3O2 — CID 114583355

IUPAC2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C10H13BrClN3O2/c1-3-4-13-9(16)6(2)15-5-14-8(12)7(11)10(15)17/h5-6H,3-4H2,1-2H3,(H,13,16)
InChIKeyAXTRNYZCQYKVQU-UHFFFAOYSA-N
MW322.59 g/mol
LogP1.75
Rot. Bonds4

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

2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide (PubChem CID 114583355) has the molecular formula C10H13BrClN3O2 and a molecular weight of 322.59 g/mol. Its IUPAC name is 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide
PubChem CID114583355
Molecular FormulaC10H13BrClN3O2
Molecular Weight322.59 g/mol
Exact Mass320.99
IUPAC Name2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C10H13BrClN3O2/c1-3-4-13-9(16)6(2)15-5-14-8(12)7(11)10(15)17/h5-6H,3-4H2,1-2H3,(H,13,16)
InChIKeyAXTRNYZCQYKVQU-UHFFFAOYSA-N
XLogP1.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide?
The IUPAC name of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide (CID 114583355) is 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide?
The canonical SMILES for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide is CCCNC(=O)C(C)n1cnc(Cl)c(Br)c1=O.
What is the InChIKey of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide?
The InChIKey is AXTRNYZCQYKVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN3O2/c1-3-4-13-9(16)6(2)15-5-14-8(12)7(11)10(15)17/h5-6H,3-4H2,1-2H3,(H,13,16).
What are the key properties of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide?
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide has a molecular weight of 322.59 g/mol, XLogP of 1.75, 4 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-propylpropanamide is sourced from PubChem (CID 114583355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).