5-bromo-N-(4-fluoro-2-iodophenyl)pyrimidin-4-amine

C10H6BrFIN3 — CID 79772541

IUPAC5-bromo-N-(4-fluoro-2-iodophenyl)pyrimidin-4-amine
SMILESFc1ccc(Nc2ncncc2Br)c(I)c1
InChIInChI=1S/C10H6BrFIN3/c11-7-4-14-5-15-10(7)16-9-2-1-6(12)3-8(9)13/h1-5H,(H,14,15,16)
InChIKeyZNZCWYKNHPZDEL-UHFFFAOYSA-N
MW393.99 g/mol
LogP3.73
Rot. Bonds2

About 5-bromo-N-(4-fluoro-2-iodophenyl)pyrimidin-4-amine

5-bromo-N-(4-fluoro-2-iodophenyl)pyrimidin-4-amine (PubChem CID 79772541) has the molecular formula C10H6BrFIN3 and a molecular weight of 393.99 g/mol. Its IUPAC name is 5-bromo-N-(4-fluoro-2-iodophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(4-fluoro-2-iodophenyl)pyrimidin-4-amine
PubChem CID79772541
Molecular FormulaC10H6BrFIN3
Molecular Weight393.99 g/mol
Exact Mass392.88
IUPAC Name5-bromo-N-(4-fluoro-2-iodophenyl)pyrimidin-4-amine
SMILESFc1ccc(Nc2ncncc2Br)c(I)c1
InChIInChI=1S/C10H6BrFIN3/c11-7-4-14-5-15-10(7)16-9-2-1-6(12)3-8(9)13/h1-5H,(H,14,15,16)
InChIKeyZNZCWYKNHPZDEL-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.99
LogP ≤ 53.73
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

5-bromo-N-(5-bromo-2-fluorophenyl)pyrimidin-4-amine
CID 66342168
5-bromo-N-(3-fluorophenyl)pyrimidin-4-amine
CID 66342584
4-(2-bromo-4-fluoroanilino)pyrimidine-5-carboxylic acid
CID 114214052
N-(4-fluoro-2-iodophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80930163
4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80849992
N-(4-fluoro-2-iodophenyl)-1H-imidazol-2-amine
CID 106576399
5-bromo-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66339922
5-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine
CID 107603072
5-bromo-N-(4-pyrimidin-5-ylphenyl)pyrimidin-4-amine
CID 166223616
4-N-(4-fluoro-2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80849441
3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine
CID 106949496
4-N-(5-bromopyrimidin-4-yl)benzene-1,4-diamine
CID 66339869

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-fluoro-2-iodophenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(4-fluoro-2-iodophenyl)pyrimidin-4-amine (CID 79772541) is 5-bromo-N-(4-fluoro-2-iodophenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(4-fluoro-2-iodophenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(4-fluoro-2-iodophenyl)pyrimidin-4-amine is Fc1ccc(Nc2ncncc2Br)c(I)c1.
What is the InChIKey of 5-bromo-N-(4-fluoro-2-iodophenyl)pyrimidin-4-amine?
The InChIKey is ZNZCWYKNHPZDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFIN3/c11-7-4-14-5-15-10(7)16-9-2-1-6(12)3-8(9)13/h1-5H,(H,14,15,16).
What are the key properties of 5-bromo-N-(4-fluoro-2-iodophenyl)pyrimidin-4-amine?
5-bromo-N-(4-fluoro-2-iodophenyl)pyrimidin-4-amine has a molecular weight of 393.99 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-fluoro-2-iodophenyl)pyrimidin-4-amine is sourced from PubChem (CID 79772541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).