2-(3-bromo-5-fluorophenyl)-5-iodo-6-methylpyrimidin-4-amine

C11H8BrFIN3 — CID 66423699

IUPAC2-(3-bromo-5-fluorophenyl)-5-iodo-6-methylpyrimidin-4-amine
SMILESCc1nc(-c2cc(F)cc(Br)c2)nc(N)c1I
InChIInChI=1S/C11H8BrFIN3/c1-5-9(14)10(15)17-11(16-5)6-2-7(12)4-8(13)3-6/h2-4H,1H3,(H2,15,16,17)
InChIKeyHCWFWVCTJNSZPA-UHFFFAOYSA-N
MW408.01 g/mol
LogP3.54
Rot. Bonds1

About 2-(3-bromo-5-fluorophenyl)-5-iodo-6-methylpyrimidin-4-amine

2-(3-bromo-5-fluorophenyl)-5-iodo-6-methylpyrimidin-4-amine (PubChem CID 66423699) has the molecular formula C11H8BrFIN3 and a molecular weight of 408.01 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-5-iodo-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-5-iodo-6-methylpyrimidin-4-amine
PubChem CID66423699
Molecular FormulaC11H8BrFIN3
Molecular Weight408.01 g/mol
Exact Mass406.89
IUPAC Name2-(3-bromo-5-fluorophenyl)-5-iodo-6-methylpyrimidin-4-amine
SMILESCc1nc(-c2cc(F)cc(Br)c2)nc(N)c1I
InChIInChI=1S/C11H8BrFIN3/c1-5-9(14)10(15)17-11(16-5)6-2-7(12)4-8(13)3-6/h2-4H,1H3,(H2,15,16,17)
InChIKeyHCWFWVCTJNSZPA-UHFFFAOYSA-N
XLogP3.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.01
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-5-iodo-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-5-iodo-6-methylpyrimidin-4-amine (CID 66423699) is 2-(3-bromo-5-fluorophenyl)-5-iodo-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-5-iodo-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-5-iodo-6-methylpyrimidin-4-amine is Cc1nc(-c2cc(F)cc(Br)c2)nc(N)c1I.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-5-iodo-6-methylpyrimidin-4-amine?
The InChIKey is HCWFWVCTJNSZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFIN3/c1-5-9(14)10(15)17-11(16-5)6-2-7(12)4-8(13)3-6/h2-4H,1H3,(H2,15,16,17).
What are the key properties of 2-(3-bromo-5-fluorophenyl)-5-iodo-6-methylpyrimidin-4-amine?
2-(3-bromo-5-fluorophenyl)-5-iodo-6-methylpyrimidin-4-amine has a molecular weight of 408.01 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-5-iodo-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66423699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).