4-chloro-6-ethyl-5-methyl-2-(trichloromethyl)pyrimidine

C8H8Cl4N2 — CID 164663973

IUPAC4-chloro-6-ethyl-5-methyl-2-(trichloromethyl)pyrimidine
SMILESCCc1nc(C(Cl)(Cl)Cl)nc(Cl)c1C
InChIInChI=1S/C8H8Cl4N2/c1-3-5-4(2)6(9)14-7(13-5)8(10,11)12/h3H2,1-2H3
InChIKeyFAQJJWJBNXZEMZ-UHFFFAOYSA-N
MW273.98 g/mol
LogP3.83
Rot. Bonds1

About 4-chloro-6-ethyl-5-methyl-2-(trichloromethyl)pyrimidine

4-chloro-6-ethyl-5-methyl-2-(trichloromethyl)pyrimidine (PubChem CID 164663973) has the molecular formula C8H8Cl4N2 and a molecular weight of 273.98 g/mol. Its IUPAC name is 4-chloro-6-ethyl-5-methyl-2-(trichloromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-5-methyl-2-(trichloromethyl)pyrimidine
PubChem CID164663973
Molecular FormulaC8H8Cl4N2
Molecular Weight273.98 g/mol
Exact Mass271.94
IUPAC Name4-chloro-6-ethyl-5-methyl-2-(trichloromethyl)pyrimidine
SMILESCCc1nc(C(Cl)(Cl)Cl)nc(Cl)c1C
InChIInChI=1S/C8H8Cl4N2/c1-3-5-4(2)6(9)14-7(13-5)8(10,11)12/h3H2,1-2H3
InChIKeyFAQJJWJBNXZEMZ-UHFFFAOYSA-N
XLogP3.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.98
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-chloro-6-ethyl-5-methyl-2-(trichloromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-ethyl-5-methyl-2-(trichloromethyl)pyrimidine (CID 164663973) is 4-chloro-6-ethyl-5-methyl-2-(trichloromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-5-methyl-2-(trichloromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-5-methyl-2-(trichloromethyl)pyrimidine is CCc1nc(C(Cl)(Cl)Cl)nc(Cl)c1C.
What is the InChIKey of 4-chloro-6-ethyl-5-methyl-2-(trichloromethyl)pyrimidine?
The InChIKey is FAQJJWJBNXZEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl4N2/c1-3-5-4(2)6(9)14-7(13-5)8(10,11)12/h3H2,1-2H3.
What are the key properties of 4-chloro-6-ethyl-5-methyl-2-(trichloromethyl)pyrimidine?
4-chloro-6-ethyl-5-methyl-2-(trichloromethyl)pyrimidine has a molecular weight of 273.98 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-5-methyl-2-(trichloromethyl)pyrimidine is sourced from PubChem (CID 164663973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).