5-bromo-3-[3-(propylamino)propyl]pyrimidin-4-one

C10H16BrN3O — CID 66310211

IUPAC5-bromo-3-[3-(propylamino)propyl]pyrimidin-4-one
SMILESCCCNCCCn1cncc(Br)c1=O
InChIInChI=1S/C10H16BrN3O/c1-2-4-12-5-3-6-14-8-13-7-9(11)10(14)15/h7-8,12H,2-6H2,1H3
InChIKeyLKRURFIGLIMYGT-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.40
Rot. Bonds6

About 5-bromo-3-[3-(propylamino)propyl]pyrimidin-4-one

5-bromo-3-[3-(propylamino)propyl]pyrimidin-4-one (PubChem CID 66310211) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-3-[3-(propylamino)propyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[3-(propylamino)propyl]pyrimidin-4-one
PubChem CID66310211
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name5-bromo-3-[3-(propylamino)propyl]pyrimidin-4-one
SMILESCCCNCCCn1cncc(Br)c1=O
InChIInChI=1S/C10H16BrN3O/c1-2-4-12-5-3-6-14-8-13-7-9(11)10(14)15/h7-8,12H,2-6H2,1H3
InChIKeyLKRURFIGLIMYGT-UHFFFAOYSA-N
XLogP1.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-bromo-3-[3-(propylamino)propyl]pyrimidin-4-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 5-bromo-3-[3-(propylamino)propyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[3-(propylamino)propyl]pyrimidin-4-one (CID 66310211) is 5-bromo-3-[3-(propylamino)propyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[3-(propylamino)propyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[3-(propylamino)propyl]pyrimidin-4-one is CCCNCCCn1cncc(Br)c1=O.
What is the InChIKey of 5-bromo-3-[3-(propylamino)propyl]pyrimidin-4-one?
The InChIKey is LKRURFIGLIMYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-2-4-12-5-3-6-14-8-13-7-9(11)10(14)15/h7-8,12H,2-6H2,1H3.
What are the key properties of 5-bromo-3-[3-(propylamino)propyl]pyrimidin-4-one?
5-bromo-3-[3-(propylamino)propyl]pyrimidin-4-one has a molecular weight of 274.16 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[3-(propylamino)propyl]pyrimidin-4-one is sourced from PubChem (CID 66310211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).