2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine

C15H16BrFIN3 — CID 107281453

IUPAC2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(F)cc2Br)nc(CC)c1I
InChIInChI=1S/C15H16BrFIN3/c1-3-7-19-15-13(18)12(4-2)20-14(21-15)10-6-5-9(17)8-11(10)16/h5-6,8H,3-4,7H2,1-2H3,(H,19,20,21)
InChIKeyJLWWMJBTOATIFK-UHFFFAOYSA-N
MW464.12 g/mol
LogP5.03
Rot. Bonds5

About 2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine

2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine (PubChem CID 107281453) has the molecular formula C15H16BrFIN3 and a molecular weight of 464.12 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
PubChem CID107281453
Molecular FormulaC15H16BrFIN3
Molecular Weight464.12 g/mol
Exact Mass462.96
IUPAC Name2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(F)cc2Br)nc(CC)c1I
InChIInChI=1S/C15H16BrFIN3/c1-3-7-19-15-13(18)12(4-2)20-14(21-15)10-6-5-9(17)8-11(10)16/h5-6,8H,3-4,7H2,1-2H3,(H,19,20,21)
InChIKeyJLWWMJBTOATIFK-UHFFFAOYSA-N
XLogP5.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.12
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66301068
N,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
CID 66298313
2-(3-bromo-4-methylphenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 105410452
5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 107281439
2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66305737
2-(5-bromofuran-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66297356
2-(3-chloro-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66299688
2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107504354
2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 107924001
2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine
CID 66306993
2-(2-bromo-3,4-difluorophenyl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 107539760
2-[(2-bromophenyl)methyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66298903

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine (CID 107281453) is 2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccc(F)cc2Br)nc(CC)c1I.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The InChIKey is JLWWMJBTOATIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFIN3/c1-3-7-19-15-13(18)12(4-2)20-14(21-15)10-6-5-9(17)8-11(10)16/h5-6,8H,3-4,7H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine has a molecular weight of 464.12 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine is sourced from PubChem (CID 107281453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).