2-(3-fluoro-4-methylphenyl)-5-iodopyrimidin-4-amine

C11H9FIN3 — CID 66303715

IUPAC2-(3-fluoro-4-methylphenyl)-5-iodopyrimidin-4-amine
SMILESCc1ccc(-c2ncc(I)c(N)n2)cc1F
InChIInChI=1S/C11H9FIN3/c1-6-2-3-7(4-8(6)12)11-15-5-9(13)10(14)16-11/h2-5H,1H3,(H2,14,15,16)
InChIKeyMHGSLDWWMUZPMB-UHFFFAOYSA-N
MW329.12 g/mol
LogP2.78
Rot. Bonds1

About 2-(3-fluoro-4-methylphenyl)-5-iodopyrimidin-4-amine

2-(3-fluoro-4-methylphenyl)-5-iodopyrimidin-4-amine (PubChem CID 66303715) has the molecular formula C11H9FIN3 and a molecular weight of 329.12 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-5-iodopyrimidin-4-amine
PubChem CID66303715
Molecular FormulaC11H9FIN3
Molecular Weight329.12 g/mol
Exact Mass328.98
IUPAC Name2-(3-fluoro-4-methylphenyl)-5-iodopyrimidin-4-amine
SMILESCc1ccc(-c2ncc(I)c(N)n2)cc1F
InChIInChI=1S/C11H9FIN3/c1-6-2-3-7(4-8(6)12)11-15-5-9(13)10(14)16-11/h2-5H,1H3,(H2,14,15,16)
InChIKeyMHGSLDWWMUZPMB-UHFFFAOYSA-N
XLogP2.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.12
LogP ≤ 52.78
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-fluoro-4-methylphenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-5-iodopyrimidin-4-amine (CID 66303715) is 2-(3-fluoro-4-methylphenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-5-iodopyrimidin-4-amine is Cc1ccc(-c2ncc(I)c(N)n2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-5-iodopyrimidin-4-amine?
The InChIKey is MHGSLDWWMUZPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FIN3/c1-6-2-3-7(4-8(6)12)11-15-5-9(13)10(14)16-11/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 2-(3-fluoro-4-methylphenyl)-5-iodopyrimidin-4-amine?
2-(3-fluoro-4-methylphenyl)-5-iodopyrimidin-4-amine has a molecular weight of 329.12 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66303715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).