2,4-dimethoxy-5-(trifluoromethylselanyl)pyrimidine

C7H7F3N2O2Se — CID 177481255

IUPAC2,4-dimethoxy-5-(trifluoromethylselanyl)pyrimidine
SMILESCOc1ncc([Se]C(F)(F)F)c(OC)n1
InChIInChI=1S/C7H7F3N2O2Se/c1-13-5-4(15-7(8,9)10)3-11-6(12-5)14-2/h3H,1-2H3
InChIKeyPSTHNMXKUSQHLZ-UHFFFAOYSA-N
MW287.10 g/mol
LogP0.34
Rot. Bonds3

About 2,4-dimethoxy-5-(trifluoromethylselanyl)pyrimidine

2,4-dimethoxy-5-(trifluoromethylselanyl)pyrimidine (PubChem CID 177481255) has the molecular formula C7H7F3N2O2Se and a molecular weight of 287.10 g/mol. Its IUPAC name is 2,4-dimethoxy-5-(trifluoromethylselanyl)pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-5-(trifluoromethylselanyl)pyrimidine
PubChem CID177481255
Molecular FormulaC7H7F3N2O2Se
Molecular Weight287.10 g/mol
Exact Mass287.96
IUPAC Name2,4-dimethoxy-5-(trifluoromethylselanyl)pyrimidine
SMILESCOc1ncc([Se]C(F)(F)F)c(OC)n1
InChIInChI=1S/C7H7F3N2O2Se/c1-13-5-4(15-7(8,9)10)3-11-6(12-5)14-2/h3H,1-2H3
InChIKeyPSTHNMXKUSQHLZ-UHFFFAOYSA-N
XLogP0.34
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-(trifluoromethylselanyl)pyrimidine?
The IUPAC name of 2,4-dimethoxy-5-(trifluoromethylselanyl)pyrimidine (CID 177481255) is 2,4-dimethoxy-5-(trifluoromethylselanyl)pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-5-(trifluoromethylselanyl)pyrimidine?
The canonical SMILES for 2,4-dimethoxy-5-(trifluoromethylselanyl)pyrimidine is COc1ncc([Se]C(F)(F)F)c(OC)n1.
What is the InChIKey of 2,4-dimethoxy-5-(trifluoromethylselanyl)pyrimidine?
The InChIKey is PSTHNMXKUSQHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2Se/c1-13-5-4(15-7(8,9)10)3-11-6(12-5)14-2/h3H,1-2H3.
What are the key properties of 2,4-dimethoxy-5-(trifluoromethylselanyl)pyrimidine?
2,4-dimethoxy-5-(trifluoromethylselanyl)pyrimidine has a molecular weight of 287.10 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-(trifluoromethylselanyl)pyrimidine is sourced from PubChem (CID 177481255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).