2,5-dichloro-4-methoxy-6-(trichloromethyl)pyrimidine

C6H3Cl5N2O — CID 3057451

IUPAC2,5-dichloro-4-methoxy-6-(trichloromethyl)pyrimidine
SMILESCOc1nc(Cl)nc(C(Cl)(Cl)Cl)c1Cl
InChIInChI=1S/C6H3Cl5N2O/c1-14-4-2(7)3(6(9,10)11)12-5(8)13-4/h1H3
InChIKeyJWXUCIUFGNVCKD-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.62
Rot. Bonds1

About 2,5-dichloro-4-methoxy-6-(trichloromethyl)pyrimidine

2,5-dichloro-4-methoxy-6-(trichloromethyl)pyrimidine (PubChem CID 3057451) has the molecular formula C6H3Cl5N2O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2,5-dichloro-4-methoxy-6-(trichloromethyl)pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-methoxy-6-(trichloromethyl)pyrimidine
PubChem CID3057451
Molecular FormulaC6H3Cl5N2O
Molecular Weight296.37 g/mol
Exact Mass293.87
IUPAC Name2,5-dichloro-4-methoxy-6-(trichloromethyl)pyrimidine
SMILESCOc1nc(Cl)nc(C(Cl)(Cl)Cl)c1Cl
InChIInChI=1S/C6H3Cl5N2O/c1-14-4-2(7)3(6(9,10)11)12-5(8)13-4/h1H3
InChIKeyJWXUCIUFGNVCKD-UHFFFAOYSA-N
XLogP3.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methoxy-6-(trichloromethyl)pyrimidine?
The IUPAC name of 2,5-dichloro-4-methoxy-6-(trichloromethyl)pyrimidine (CID 3057451) is 2,5-dichloro-4-methoxy-6-(trichloromethyl)pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-methoxy-6-(trichloromethyl)pyrimidine?
The canonical SMILES for 2,5-dichloro-4-methoxy-6-(trichloromethyl)pyrimidine is COc1nc(Cl)nc(C(Cl)(Cl)Cl)c1Cl.
What is the InChIKey of 2,5-dichloro-4-methoxy-6-(trichloromethyl)pyrimidine?
The InChIKey is JWXUCIUFGNVCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl5N2O/c1-14-4-2(7)3(6(9,10)11)12-5(8)13-4/h1H3.
What are the key properties of 2,5-dichloro-4-methoxy-6-(trichloromethyl)pyrimidine?
2,5-dichloro-4-methoxy-6-(trichloromethyl)pyrimidine has a molecular weight of 296.37 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-methoxy-6-(trichloromethyl)pyrimidine is sourced from PubChem (CID 3057451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).