4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine

C12H6Cl2F3IN2 — CID 66316212

IUPAC4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
SMILESFC(F)(F)c1cccc(Cc2nc(Cl)c(I)c(Cl)n2)c1
InChIInChI=1S/C12H6Cl2F3IN2/c13-10-9(18)11(14)20-8(19-10)5-6-2-1-3-7(4-6)12(15,16)17/h1-4H,5H2
InChIKeyZXILFXGODAHFIJ-UHFFFAOYSA-N
MW433.00 g/mol
LogP5.00
Rot. Bonds2

About 4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine

4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine (PubChem CID 66316212) has the molecular formula C12H6Cl2F3IN2 and a molecular weight of 433.00 g/mol. Its IUPAC name is 4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
PubChem CID66316212
Molecular FormulaC12H6Cl2F3IN2
Molecular Weight433.00 g/mol
Exact Mass431.89
IUPAC Name4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
SMILESFC(F)(F)c1cccc(Cc2nc(Cl)c(I)c(Cl)n2)c1
InChIInChI=1S/C12H6Cl2F3IN2/c13-10-9(18)11(14)20-8(19-10)5-6-2-1-3-7(4-6)12(15,16)17/h1-4H,5H2
InChIKeyZXILFXGODAHFIJ-UHFFFAOYSA-N
XLogP5.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.00
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-chloro-6-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 66292577
5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
CID 102618418
2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58040421
6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66299270
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58040029
2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58039427
2-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 87237269
4-chloro-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58039942
4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
CID 159061814
[2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine
CID 14685626
2-chloro-5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 12056714

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine?
The IUPAC name of 4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine (CID 66316212) is 4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine?
The canonical SMILES for 4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine is FC(F)(F)c1cccc(Cc2nc(Cl)c(I)c(Cl)n2)c1.
What is the InChIKey of 4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine?
The InChIKey is ZXILFXGODAHFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3IN2/c13-10-9(18)11(14)20-8(19-10)5-6-2-1-3-7(4-6)12(15,16)17/h1-4H,5H2.
What are the key properties of 4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine?
4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine has a molecular weight of 433.00 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine is sourced from PubChem (CID 66316212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).