N-(3-fluorophenyl)-5-iodopyrimidin-2-amine

C10H7FIN3 — CID 116648839

IUPACN-(3-fluorophenyl)-5-iodopyrimidin-2-amine
SMILESFc1cccc(Nc2ncc(I)cn2)c1
InChIInChI=1S/C10H7FIN3/c11-7-2-1-3-9(4-7)15-10-13-5-8(12)6-14-10/h1-6H,(H,13,14,15)
InChIKeySTZLVOSRZDPQEU-UHFFFAOYSA-N
MW315.09 g/mol
LogP2.96
Rot. Bonds2

About N-(3-fluorophenyl)-5-iodopyrimidin-2-amine

N-(3-fluorophenyl)-5-iodopyrimidin-2-amine (PubChem CID 116648839) has the molecular formula C10H7FIN3 and a molecular weight of 315.09 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-iodopyrimidin-2-amine
PubChem CID116648839
Molecular FormulaC10H7FIN3
Molecular Weight315.09 g/mol
Exact Mass314.97
IUPAC NameN-(3-fluorophenyl)-5-iodopyrimidin-2-amine
SMILESFc1cccc(Nc2ncc(I)cn2)c1
InChIInChI=1S/C10H7FIN3/c11-7-2-1-3-9(4-7)15-10-13-5-8(12)6-14-10/h1-6H,(H,13,14,15)
InChIKeySTZLVOSRZDPQEU-UHFFFAOYSA-N
XLogP2.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.09
LogP ≤ 52.96
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

5-iodo-N-naphthalen-2-ylpyrimidin-2-amine
CID 116648943
N-(3-fluorophenyl)-5-iodo-4-phenylmethoxypyrimidin-2-amine
CID 90052148
N-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-2-amine
CID 116648850
2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542
N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109266885
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzoic acid
CID 154791909
N-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 117100689
3-fluoro-N-phenylaniline
CID 2774466
N-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109267473
N-(3-fluorophenyl)-2H-tetrazol-5-amine
CID 130013830
3-fluoro-N-(4-fluorophenyl)aniline
CID 54316192
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109269249

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-iodopyrimidin-2-amine?
The IUPAC name of N-(3-fluorophenyl)-5-iodopyrimidin-2-amine (CID 116648839) is N-(3-fluorophenyl)-5-iodopyrimidin-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-5-iodopyrimidin-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-5-iodopyrimidin-2-amine is Fc1cccc(Nc2ncc(I)cn2)c1.
What is the InChIKey of N-(3-fluorophenyl)-5-iodopyrimidin-2-amine?
The InChIKey is STZLVOSRZDPQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FIN3/c11-7-2-1-3-9(4-7)15-10-13-5-8(12)6-14-10/h1-6H,(H,13,14,15).
What are the key properties of N-(3-fluorophenyl)-5-iodopyrimidin-2-amine?
N-(3-fluorophenyl)-5-iodopyrimidin-2-amine has a molecular weight of 315.09 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-iodopyrimidin-2-amine is sourced from PubChem (CID 116648839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).