5-bromo-4-(2,4-dichlorophenoxy)-6-propylpyrimidin-2-amine

C13H12BrCl2N3O — CID 154110573

IUPAC5-bromo-4-(2,4-dichlorophenoxy)-6-propylpyrimidin-2-amine
SMILESCCCc1nc(N)nc(Oc2ccc(Cl)cc2Cl)c1Br
InChIInChI=1S/C13H12BrCl2N3O/c1-2-3-9-11(14)12(19-13(17)18-9)20-10-5-4-7(15)6-8(10)16/h4-6H,2-3H2,1H3,(H2,17,18,19)
InChIKeyYMKKPFLPBLOUEU-UHFFFAOYSA-N
MW377.07 g/mol
LogP4.87
Rot. Bonds4

About 5-bromo-4-(2,4-dichlorophenoxy)-6-propylpyrimidin-2-amine

5-bromo-4-(2,4-dichlorophenoxy)-6-propylpyrimidin-2-amine (PubChem CID 154110573) has the molecular formula C13H12BrCl2N3O and a molecular weight of 377.07 g/mol. Its IUPAC name is 5-bromo-4-(2,4-dichlorophenoxy)-6-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(2,4-dichlorophenoxy)-6-propylpyrimidin-2-amine
PubChem CID154110573
Molecular FormulaC13H12BrCl2N3O
Molecular Weight377.07 g/mol
Exact Mass374.95
IUPAC Name5-bromo-4-(2,4-dichlorophenoxy)-6-propylpyrimidin-2-amine
SMILESCCCc1nc(N)nc(Oc2ccc(Cl)cc2Cl)c1Br
InChIInChI=1S/C13H12BrCl2N3O/c1-2-3-9-11(14)12(19-13(17)18-9)20-10-5-4-7(15)6-8(10)16/h4-6H,2-3H2,1H3,(H2,17,18,19)
InChIKeyYMKKPFLPBLOUEU-UHFFFAOYSA-N
XLogP4.87
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.07
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-(2,4-dichlorophenoxy)-6-propylpyrimidin-2-amine 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-4-(2,4-dichlorophenoxy)-6-propylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(2,4-dichlorophenoxy)-6-propylpyrimidin-2-amine (CID 154110573) is 5-bromo-4-(2,4-dichlorophenoxy)-6-propylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(2,4-dichlorophenoxy)-6-propylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(2,4-dichlorophenoxy)-6-propylpyrimidin-2-amine is CCCc1nc(N)nc(Oc2ccc(Cl)cc2Cl)c1Br.
What is the InChIKey of 5-bromo-4-(2,4-dichlorophenoxy)-6-propylpyrimidin-2-amine?
The InChIKey is YMKKPFLPBLOUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrCl2N3O/c1-2-3-9-11(14)12(19-13(17)18-9)20-10-5-4-7(15)6-8(10)16/h4-6H,2-3H2,1H3,(H2,17,18,19).
What are the key properties of 5-bromo-4-(2,4-dichlorophenoxy)-6-propylpyrimidin-2-amine?
5-bromo-4-(2,4-dichlorophenoxy)-6-propylpyrimidin-2-amine has a molecular weight of 377.07 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,4-dichlorophenoxy)-6-propylpyrimidin-2-amine is sourced from PubChem (CID 154110573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).