2-(3-fluorophenyl)-5-iodo-6-phenylpyrimidin-4-amine

C16H11FIN3 — CID 66294124

IUPAC2-(3-fluorophenyl)-5-iodo-6-phenylpyrimidin-4-amine
SMILESNc1nc(-c2cccc(F)c2)nc(-c2ccccc2)c1I
InChIInChI=1S/C16H11FIN3/c17-12-8-4-7-11(9-12)16-20-14(13(18)15(19)21-16)10-5-2-1-3-6-10/h1-9H,(H2,19,20,21)
InChIKeyBIZLGZUTJAEDNZ-UHFFFAOYSA-N
MW391.19 g/mol
LogP4.14
Rot. Bonds2

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

2-(3-fluorophenyl)-5-iodo-6-phenylpyrimidin-4-amine (PubChem CID 66294124) has the molecular formula C16H11FIN3 and a molecular weight of 391.19 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-iodo-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-iodo-6-phenylpyrimidin-4-amine
PubChem CID66294124
Molecular FormulaC16H11FIN3
Molecular Weight391.19 g/mol
Exact Mass391.00
IUPAC Name2-(3-fluorophenyl)-5-iodo-6-phenylpyrimidin-4-amine
SMILESNc1nc(-c2cccc(F)c2)nc(-c2ccccc2)c1I
InChIInChI=1S/C16H11FIN3/c17-12-8-4-7-11(9-12)16-20-14(13(18)15(19)21-16)10-5-2-1-3-6-10/h1-9H,(H2,19,20,21)
InChIKeyBIZLGZUTJAEDNZ-UHFFFAOYSA-N
XLogP4.14
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.19
LogP ≤ 54.14
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

6-cyclopropyl-2-(3-fluorophenyl)-5-iodopyrimidin-4-amine
CID 66301746
2-(4-chlorophenyl)-5-iodo-6-phenylpyrimidin-4-amine
CID 66294114
2-(3-fluorophenyl)-6-phenylpyrimidin-4-amine
CID 62192602
6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine
CID 64983813
5-iodo-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidin-4-amine
CID 66294304
2-(5-chlorothiophen-2-yl)-5-iodo-6-phenylpyrimidin-4-amine
CID 66302604
2-(3-chloro-2-pyridinyl)-5-iodo-6-phenylpyrimidin-4-amine
CID 103445120
6-(3-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 158796576
2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine
CID 104846735
5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine
CID 66307404
5-iodo-6-methyl-2-phenylpyrimidin-4-amine
CID 12795372
2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine
CID 134472353

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-iodo-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(3-fluorophenyl)-5-iodo-6-phenylpyrimidin-4-amine (CID 66294124) is 2-(3-fluorophenyl)-5-iodo-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-5-iodo-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(3-fluorophenyl)-5-iodo-6-phenylpyrimidin-4-amine is Nc1nc(-c2cccc(F)c2)nc(-c2ccccc2)c1I.
What is the InChIKey of 2-(3-fluorophenyl)-5-iodo-6-phenylpyrimidin-4-amine?
The InChIKey is BIZLGZUTJAEDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FIN3/c17-12-8-4-7-11(9-12)16-20-14(13(18)15(19)21-16)10-5-2-1-3-6-10/h1-9H,(H2,19,20,21).
What are the key properties of 2-(3-fluorophenyl)-5-iodo-6-phenylpyrimidin-4-amine?
2-(3-fluorophenyl)-5-iodo-6-phenylpyrimidin-4-amine has a molecular weight of 391.19 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-iodo-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 66294124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).