2-(chloromethyl)-4-methoxy-6-(trifluoromethyl)pyrimidine

C7H6ClF3N2O — CID 150898582

IUPAC2-(chloromethyl)-4-methoxy-6-(trifluoromethyl)pyrimidine
SMILESCOc1cc(C(F)(F)F)nc(CCl)n1
InChIInChI=1S/C7H6ClF3N2O/c1-14-6-2-4(7(9,10)11)12-5(3-8)13-6/h2H,3H2,1H3
InChIKeyKZNLLVBAZSJYNW-UHFFFAOYSA-N
MW226.58 g/mol
LogP2.24
Rot. Bonds2

About 2-(chloromethyl)-4-methoxy-6-(trifluoromethyl)pyrimidine

2-(chloromethyl)-4-methoxy-6-(trifluoromethyl)pyrimidine (PubChem CID 150898582) has the molecular formula C7H6ClF3N2O and a molecular weight of 226.58 g/mol. Its IUPAC name is 2-(chloromethyl)-4-methoxy-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(chloromethyl)-4-methoxy-6-(trifluoromethyl)pyrimidine
PubChem CID150898582
Molecular FormulaC7H6ClF3N2O
Molecular Weight226.58 g/mol
Exact Mass226.01
IUPAC Name2-(chloromethyl)-4-methoxy-6-(trifluoromethyl)pyrimidine
SMILESCOc1cc(C(F)(F)F)nc(CCl)n1
InChIInChI=1S/C7H6ClF3N2O/c1-14-6-2-4(7(9,10)11)12-5(3-8)13-6/h2H,3H2,1H3
InChIKeyKZNLLVBAZSJYNW-UHFFFAOYSA-N
XLogP2.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.58
LogP ≤ 52.24
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-(chloromethyl)-4-methoxy-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(chloromethyl)-4-methoxy-6-(trifluoromethyl)pyrimidine (CID 150898582) is 2-(chloromethyl)-4-methoxy-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(chloromethyl)-4-methoxy-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(chloromethyl)-4-methoxy-6-(trifluoromethyl)pyrimidine is COc1cc(C(F)(F)F)nc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-4-methoxy-6-(trifluoromethyl)pyrimidine?
The InChIKey is KZNLLVBAZSJYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O/c1-14-6-2-4(7(9,10)11)12-5(3-8)13-6/h2H,3H2,1H3.
What are the key properties of 2-(chloromethyl)-4-methoxy-6-(trifluoromethyl)pyrimidine?
2-(chloromethyl)-4-methoxy-6-(trifluoromethyl)pyrimidine has a molecular weight of 226.58 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-methoxy-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 150898582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).