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

C10H13BrClN3O2 — CID 114583403

IUPAC2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)n1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C10H13BrClN3O2/c1-5(2)14-9(16)6(3)15-4-13-8(12)7(11)10(15)17/h4-6H,1-3H3,(H,14,16)
InChIKeyOGDMPSYRYJGGLE-UHFFFAOYSA-N
MW322.59 g/mol
LogP1.74
Rot. Bonds3

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

2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide (PubChem CID 114583403) 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-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
PubChem CID114583403
Molecular FormulaC10H13BrClN3O2
Molecular Weight322.59 g/mol
Exact Mass320.99
IUPAC Name2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)n1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C10H13BrClN3O2/c1-5(2)14-9(16)6(3)15-4-13-8(12)7(11)10(15)17/h4-6H,1-3H3,(H,14,16)
InChIKeyOGDMPSYRYJGGLE-UHFFFAOYSA-N
XLogP1.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide (CID 114583403) is 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)n1cnc(Cl)c(Br)c1=O.
What is the InChIKey of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is OGDMPSYRYJGGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN3O2/c1-5(2)14-9(16)6(3)15-4-13-8(12)7(11)10(15)17/h4-6H,1-3H3,(H,14,16).
What are the key properties of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 322.59 g/mol, XLogP of 1.74, 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-propan-2-ylpropanamide is sourced from PubChem (CID 114583403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).