5-iodo-4-methyl-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]pyrimidine

C13H11F3IN3O2 — CID 162564069

IUPAC5-iodo-4-methyl-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]pyrimidine
SMILESCc1nc(OCc2ccc(OCC(F)(F)F)nc2)ncc1I
InChIInChI=1S/C13H11F3IN3O2/c1-8-10(17)5-19-12(20-8)21-6-9-2-3-11(18-4-9)22-7-13(14,15)16/h2-5H,6-7H2,1H3
InChIKeyUTTGWMWBPFNDMZ-UHFFFAOYSA-N
MW425.15 g/mol
LogP3.30
Rot. Bonds5

About 5-iodo-4-methyl-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]pyrimidine

5-iodo-4-methyl-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]pyrimidine (PubChem CID 162564069) has the molecular formula C13H11F3IN3O2 and a molecular weight of 425.15 g/mol. Its IUPAC name is 5-iodo-4-methyl-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]pyrimidine.

Molecular Properties

Compound Name5-iodo-4-methyl-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]pyrimidine
PubChem CID162564069
Molecular FormulaC13H11F3IN3O2
Molecular Weight425.15 g/mol
Exact Mass424.98
IUPAC Name5-iodo-4-methyl-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]pyrimidine
SMILESCc1nc(OCc2ccc(OCC(F)(F)F)nc2)ncc1I
InChIInChI=1S/C13H11F3IN3O2/c1-8-10(17)5-19-12(20-8)21-6-9-2-3-11(18-4-9)22-7-13(14,15)16/h2-5H,6-7H2,1H3
InChIKeyUTTGWMWBPFNDMZ-UHFFFAOYSA-N
XLogP3.30
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.15
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-iodo-4-methyl-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-methyl-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]pyrimidine?
The IUPAC name of 5-iodo-4-methyl-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]pyrimidine (CID 162564069) is 5-iodo-4-methyl-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]pyrimidine.
What is the SMILES notation for 5-iodo-4-methyl-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]pyrimidine?
The canonical SMILES for 5-iodo-4-methyl-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]pyrimidine is Cc1nc(OCc2ccc(OCC(F)(F)F)nc2)ncc1I.
What is the InChIKey of 5-iodo-4-methyl-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]pyrimidine?
The InChIKey is UTTGWMWBPFNDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3IN3O2/c1-8-10(17)5-19-12(20-8)21-6-9-2-3-11(18-4-9)22-7-13(14,15)16/h2-5H,6-7H2,1H3.
What are the key properties of 5-iodo-4-methyl-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]pyrimidine?
5-iodo-4-methyl-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]pyrimidine has a molecular weight of 425.15 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-methyl-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]pyrimidine is sourced from PubChem (CID 162564069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).