N-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-2-amine

C11H9FIN3 — CID 116648850

IUPACN-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-2-amine
SMILESCc1ccc(F)cc1Nc1ncc(I)cn1
InChIInChI=1S/C11H9FIN3/c1-7-2-3-8(12)4-10(7)16-11-14-5-9(13)6-15-11/h2-6H,1H3,(H,14,15,16)
InChIKeyQEXUJPDIEDDZAD-UHFFFAOYSA-N
MW329.12 g/mol
LogP3.27
Rot. Bonds2

About N-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-2-amine

N-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-2-amine (PubChem CID 116648850) has the molecular formula C11H9FIN3 and a molecular weight of 329.12 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-2-amine
PubChem CID116648850
Molecular FormulaC11H9FIN3
Molecular Weight329.12 g/mol
Exact Mass328.98
IUPAC NameN-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-2-amine
SMILESCc1ccc(F)cc1Nc1ncc(I)cn1
InChIInChI=1S/C11H9FIN3/c1-7-2-3-8(12)4-10(7)16-11-14-5-9(13)6-15-11/h2-6H,1H3,(H,14,15,16)
InChIKeyQEXUJPDIEDDZAD-UHFFFAOYSA-N
XLogP3.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.12
LogP ≤ 53.27
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

N-(2,4-dimethylphenyl)-5-iodopyrimidin-2-amine
CID 116648838
N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927969
N-(3-fluorophenyl)-5-iodopyrimidin-2-amine
CID 116648839
N-(5-fluoro-2-methylphenyl)-5-methyl-1H-imidazol-2-amine
CID 106559294
5-iodo-N-(4-methoxy-2-methylphenyl)pyrimidin-2-amine
CID 116648971
5-bromo-2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762209
6-chloro-2-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762277
5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762276
4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80762283
3-N-(5-fluoro-2-methylphenyl)pyrazine-2,3-diamine
CID 102985191
4-N-(5-fluoro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762561
5-chloro-4-N-(5-fluoro-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80762137

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-2-amine?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-2-amine (CID 116648850) is N-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-2-amine.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-2-amine?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-2-amine is Cc1ccc(F)cc1Nc1ncc(I)cn1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-2-amine?
The InChIKey is QEXUJPDIEDDZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FIN3/c1-7-2-3-8(12)4-10(7)16-11-14-5-9(13)6-15-11/h2-6H,1H3,(H,14,15,16).
What are the key properties of N-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-2-amine?
N-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-2-amine has a molecular weight of 329.12 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-2-amine is sourced from PubChem (CID 116648850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).