2-(4-bromo-3-fluorophenyl)-5-iodopyrimidin-4-amine

C10H6BrFIN3 — CID 81440933

IUPAC2-(4-bromo-3-fluorophenyl)-5-iodopyrimidin-4-amine
SMILESNc1nc(-c2ccc(Br)c(F)c2)ncc1I
InChIInChI=1S/C10H6BrFIN3/c11-6-2-1-5(3-7(6)12)10-15-4-8(13)9(14)16-10/h1-4H,(H2,14,15,16)
InChIKeyHTELSLURRQEBGD-UHFFFAOYSA-N
MW393.99 g/mol
LogP3.23
Rot. Bonds1

About 2-(4-bromo-3-fluorophenyl)-5-iodopyrimidin-4-amine

2-(4-bromo-3-fluorophenyl)-5-iodopyrimidin-4-amine (PubChem CID 81440933) has the molecular formula C10H6BrFIN3 and a molecular weight of 393.99 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-5-iodopyrimidin-4-amine
PubChem CID81440933
Molecular FormulaC10H6BrFIN3
Molecular Weight393.99 g/mol
Exact Mass392.88
IUPAC Name2-(4-bromo-3-fluorophenyl)-5-iodopyrimidin-4-amine
SMILESNc1nc(-c2ccc(Br)c(F)c2)ncc1I
InChIInChI=1S/C10H6BrFIN3/c11-6-2-1-5(3-7(6)12)10-15-4-8(13)9(14)16-10/h1-4H,(H2,14,15,16)
InChIKeyHTELSLURRQEBGD-UHFFFAOYSA-N
XLogP3.23
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.99
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-bromo-3-fluorophenyl)-5-iodopyrimidin-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

2-(3-fluoro-4-methylphenyl)-5-iodopyrimidin-4-amine
CID 66303715
2-(4-bromophenyl)-5-iodopyrimidin-4-amine
CID 66304324
2-(3-bromo-5-fluorophenyl)-5-iodopyrimidin-4-amine
CID 66423101
6-(4-bromo-3-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 112681578
5-bromo-2-(4-bromo-3-fluorophenyl)-6-tert-butylpyrimidin-4-amine
CID 81440655
5-iodo-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine
CID 66297619
5-bromo-2-(3-bromo-4-chlorophenyl)pyrimidin-4-amine
CID 115568327
5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 107922895
2-(4-bromo-3-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83201580
5-iodo-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 66297036
5-iodo-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 107105178
2-(4-ethoxyphenyl)-5-iodopyrimidin-4-amine
CID 66297425

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-5-iodopyrimidin-4-amine (CID 81440933) is 2-(4-bromo-3-fluorophenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-5-iodopyrimidin-4-amine is Nc1nc(-c2ccc(Br)c(F)c2)ncc1I.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-5-iodopyrimidin-4-amine?
The InChIKey is HTELSLURRQEBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFIN3/c11-6-2-1-5(3-7(6)12)10-15-4-8(13)9(14)16-10/h1-4H,(H2,14,15,16).
What are the key properties of 2-(4-bromo-3-fluorophenyl)-5-iodopyrimidin-4-amine?
2-(4-bromo-3-fluorophenyl)-5-iodopyrimidin-4-amine has a molecular weight of 393.99 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 81440933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).