5-iodo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine

C11H7F3IN3O — CID 116648818

IUPAC5-iodo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2ncc(I)cn2)cc1
InChIInChI=1S/C11H7F3IN3O/c12-11(13,14)19-9-3-1-8(2-4-9)18-10-16-5-7(15)6-17-10/h1-6H,(H,16,17,18)
InChIKeyJTYXTPGFMYOTDC-UHFFFAOYSA-N
MW381.10 g/mol
LogP3.72
Rot. Bonds3

About 5-iodo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine

5-iodo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine (PubChem CID 116648818) has the molecular formula C11H7F3IN3O and a molecular weight of 381.10 g/mol. Its IUPAC name is 5-iodo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
PubChem CID116648818
Molecular FormulaC11H7F3IN3O
Molecular Weight381.10 g/mol
Exact Mass380.96
IUPAC Name5-iodo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2ncc(I)cn2)cc1
InChIInChI=1S/C11H7F3IN3O/c12-11(13,14)19-9-3-1-8(2-4-9)18-10-16-5-7(15)6-17-10/h1-6H,(H,16,17,18)
InChIKeyJTYXTPGFMYOTDC-UHFFFAOYSA-N
XLogP3.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.10
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
5-bromo-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 25093333
9-phenyl-N-[4-(trifluoromethoxy)phenyl]purin-2-amine
CID 85470488
5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 66342350
5-iodo-N-naphthalen-2-ylpyrimidin-2-amine
CID 116648943
N-fluoro-4-(trifluoromethoxy)aniline
CID 142989818
4-N-methyl-6-(2,2,2-trifluoroethoxy)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 1044905
5-[4-(trifluoromethoxy)anilino]pyridine-2-carbothioamide
CID 115488112
2-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80769352
5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine
CID 104532253
[4-(trifluoromethoxy)anilino]azanium
CID 140653145
4-[4-(trifluoromethoxy)anilino]pyridine-3-carbonitrile
CID 135372726

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-iodo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine (CID 116648818) is 5-iodo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine is FC(F)(F)Oc1ccc(Nc2ncc(I)cn2)cc1.
What is the InChIKey of 5-iodo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The InChIKey is JTYXTPGFMYOTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3IN3O/c12-11(13,14)19-9-3-1-8(2-4-9)18-10-16-5-7(15)6-17-10/h1-6H,(H,16,17,18).
What are the key properties of 5-iodo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
5-iodo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine has a molecular weight of 381.10 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 116648818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).