5-bromo-2-octyl-6-phenoxypyrimidin-4-amine

C18H24BrN3O — CID 154106999

IUPAC5-bromo-2-octyl-6-phenoxypyrimidin-4-amine
SMILESCCCCCCCCc1nc(N)c(Br)c(Oc2ccccc2)n1
InChIInChI=1S/C18H24BrN3O/c1-2-3-4-5-6-10-13-15-21-17(20)16(19)18(22-15)23-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3,(H2,20,21,22)
InChIKeyPLXZDYGSQNROQF-UHFFFAOYSA-N
MW378.31 g/mol
LogP5.52
Rot. Bonds9

About 5-bromo-2-octyl-6-phenoxypyrimidin-4-amine

5-bromo-2-octyl-6-phenoxypyrimidin-4-amine (PubChem CID 154106999) has the molecular formula C18H24BrN3O and a molecular weight of 378.31 g/mol. Its IUPAC name is 5-bromo-2-octyl-6-phenoxypyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-octyl-6-phenoxypyrimidin-4-amine
PubChem CID154106999
Molecular FormulaC18H24BrN3O
Molecular Weight378.31 g/mol
Exact Mass377.11
IUPAC Name5-bromo-2-octyl-6-phenoxypyrimidin-4-amine
SMILESCCCCCCCCc1nc(N)c(Br)c(Oc2ccccc2)n1
InChIInChI=1S/C18H24BrN3O/c1-2-3-4-5-6-10-13-15-21-17(20)16(19)18(22-15)23-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3,(H2,20,21,22)
InChIKeyPLXZDYGSQNROQF-UHFFFAOYSA-N
XLogP5.52
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.31
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-2-octyl-6-phenoxypyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-6-(2,4-dichlorophenoxy)-2-octylpyrimidin-4-amine
CID 154263544
2-heptyl-4-methyl-6-phenoxypyrimidine
CID 59545915
1-pentadecyl-2-phenoxybenzene
CID 101290758
2-phenoxy-1,3-di(tetradecyl)benzene
CID 101292182
1-bromo-2-pentadecyl-4-phenoxybenzene
CID 59297150
2-(4-hexylphenoxy)-4,6-diphenoxy-1,3,5-triazine;2,4,6-tris(4-methoxyphenoxy)-1,3,5-triazine
CID 167563213
6-octadecyl-1,3,5-triazine-2,4-diamine
CID 154108733
5-bromo-2-(3-methoxypropyl)-6-phenylpyrimidin-4-amine
CID 66294302
1-ethyl-2-octyl-3-phenoxybenzene
CID 141216641
2-decyl-1-phenoxy-3-propylbenzene
CID 141351783
6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80989252
2-nonyl-3-(4-phenylphenoxy)pyrazine
CID 20979288

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-octyl-6-phenoxypyrimidin-4-amine?
The IUPAC name of 5-bromo-2-octyl-6-phenoxypyrimidin-4-amine (CID 154106999) is 5-bromo-2-octyl-6-phenoxypyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-octyl-6-phenoxypyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-octyl-6-phenoxypyrimidin-4-amine is CCCCCCCCc1nc(N)c(Br)c(Oc2ccccc2)n1.
What is the InChIKey of 5-bromo-2-octyl-6-phenoxypyrimidin-4-amine?
The InChIKey is PLXZDYGSQNROQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3O/c1-2-3-4-5-6-10-13-15-21-17(20)16(19)18(22-15)23-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3,(H2,20,21,22).
What are the key properties of 5-bromo-2-octyl-6-phenoxypyrimidin-4-amine?
5-bromo-2-octyl-6-phenoxypyrimidin-4-amine has a molecular weight of 378.31 g/mol, XLogP of 5.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-octyl-6-phenoxypyrimidin-4-amine is sourced from PubChem (CID 154106999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).