5-iodo-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C11H7F3IN3O — CID 107105178

IUPAC5-iodo-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESNc1nc(-c2cccc(OC(F)(F)F)c2)ncc1I
InChIInChI=1S/C11H7F3IN3O/c12-11(13,14)19-7-3-1-2-6(4-7)10-17-5-8(15)9(16)18-10/h1-5H,(H2,16,17,18)
InChIKeyGEDCOWANYWPIAI-UHFFFAOYSA-N
MW381.10 g/mol
LogP3.23
Rot. Bonds2

About 5-iodo-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine

5-iodo-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 107105178) has the molecular formula C11H7F3IN3O and a molecular weight of 381.10 g/mol. Its IUPAC name is 5-iodo-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID107105178
Molecular FormulaC11H7F3IN3O
Molecular Weight381.10 g/mol
Exact Mass380.96
IUPAC Name5-iodo-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESNc1nc(-c2cccc(OC(F)(F)F)c2)ncc1I
InChIInChI=1S/C11H7F3IN3O/c12-11(13,14)19-7-3-1-2-6(4-7)10-17-5-8(15)9(16)18-10/h1-5H,(H2,16,17,18)
InChIKeyGEDCOWANYWPIAI-UHFFFAOYSA-N
XLogP3.23
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.10
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-iodo-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 107105178) is 5-iodo-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine is Nc1nc(-c2cccc(OC(F)(F)F)c2)ncc1I.
What is the InChIKey of 5-iodo-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is GEDCOWANYWPIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3IN3O/c12-11(13,14)19-7-3-1-2-6(4-7)10-17-5-8(15)9(16)18-10/h1-5H,(H2,16,17,18).
What are the key properties of 5-iodo-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
5-iodo-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 381.10 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 107105178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).