1-[4-[(5-bromopyrimidin-2-yl)amino]piperidin-1-yl]butan-1-one

C13H19BrN4O — CID 75370282

IUPAC1-[4-[(5-bromopyrimidin-2-yl)amino]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(Nc2ncc(Br)cn2)CC1
InChIInChI=1S/C13H19BrN4O/c1-2-3-12(19)18-6-4-11(5-7-18)17-13-15-8-10(14)9-16-13/h8-9,11H,2-7H2,1H3,(H,15,16,17)
InChIKeyUOASTKCFQROAOU-UHFFFAOYSA-N
MW327.23 g/mol
LogP2.44
Rot. Bonds4

About 1-[4-[(5-bromopyrimidin-2-yl)amino]piperidin-1-yl]butan-1-one

1-[4-[(5-bromopyrimidin-2-yl)amino]piperidin-1-yl]butan-1-one (PubChem CID 75370282) has the molecular formula C13H19BrN4O and a molecular weight of 327.23 g/mol. Its IUPAC name is 1-[4-[(5-bromopyrimidin-2-yl)amino]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[(5-bromopyrimidin-2-yl)amino]piperidin-1-yl]butan-1-one
PubChem CID75370282
Molecular FormulaC13H19BrN4O
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC Name1-[4-[(5-bromopyrimidin-2-yl)amino]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(Nc2ncc(Br)cn2)CC1
InChIInChI=1S/C13H19BrN4O/c1-2-3-12(19)18-6-4-11(5-7-18)17-13-15-8-10(14)9-16-13/h8-9,11H,2-7H2,1H3,(H,15,16,17)
InChIKeyUOASTKCFQROAOU-UHFFFAOYSA-N
XLogP2.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(5-bromopyrimidin-2-yl)amino]piperidin-1-yl]butan-1-one 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 1-[4-[(5-bromopyrimidin-2-yl)amino]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[(5-bromopyrimidin-2-yl)amino]piperidin-1-yl]butan-1-one (CID 75370282) is 1-[4-[(5-bromopyrimidin-2-yl)amino]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[(5-bromopyrimidin-2-yl)amino]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[(5-bromopyrimidin-2-yl)amino]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(Nc2ncc(Br)cn2)CC1.
What is the InChIKey of 1-[4-[(5-bromopyrimidin-2-yl)amino]piperidin-1-yl]butan-1-one?
The InChIKey is UOASTKCFQROAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O/c1-2-3-12(19)18-6-4-11(5-7-18)17-13-15-8-10(14)9-16-13/h8-9,11H,2-7H2,1H3,(H,15,16,17).
What are the key properties of 1-[4-[(5-bromopyrimidin-2-yl)amino]piperidin-1-yl]butan-1-one?
1-[4-[(5-bromopyrimidin-2-yl)amino]piperidin-1-yl]butan-1-one has a molecular weight of 327.23 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-bromopyrimidin-2-yl)amino]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 75370282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).