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4-tert-butyl-6-methyl-5-(trifluoromethyl)pyrimidine

C10H13F3N2 — CID 66615490

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-tert-butyl-6-methyl-5-(trifluoromethyl)pyrimidine
SMILESCc1ncnc(C(C)(C)C)c1C(F)(F)F
InChIInChI=1S/C10H13F3N2/c1-6-7(10(11,12)13)8(9(2,3)4)15-5-14-6/h5H,1-4H3
InChIKeyGJOAVNZVVZPTKU-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.10
Rot. Bonds

About 4-tert-butyl-6-methyl-5-(trifluoromethyl)pyrimidine

4-tert-butyl-6-methyl-5-(trifluoromethyl)pyrimidine (PubChem CID 66615490) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-tert-butyl-6-methyl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-methyl-5-(trifluoromethyl)pyrimidine
PubChem CID66615490
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name4-tert-butyl-6-methyl-5-(trifluoromethyl)pyrimidine
SMILESCc1ncnc(C(C)(C)C)c1C(F)(F)F
InChIInChI=1S/C10H13F3N2/c1-6-7(10(11,12)13)8(9(2,3)4)15-5-14-6/h5H,1-4H3
InChIKeyGJOAVNZVVZPTKU-UHFFFAOYSA-N
XLogP3.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-methyl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-tert-butyl-6-methyl-5-(trifluoromethyl)pyrimidine (CID 66615490) is 4-tert-butyl-6-methyl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-tert-butyl-6-methyl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-tert-butyl-6-methyl-5-(trifluoromethyl)pyrimidine is Cc1ncnc(C(C)(C)C)c1C(F)(F)F.
What is the InChIKey of 4-tert-butyl-6-methyl-5-(trifluoromethyl)pyrimidine?
The InChIKey is GJOAVNZVVZPTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-6-7(10(11,12)13)8(9(2,3)4)15-5-14-6/h5H,1-4H3.
What are the key properties of 4-tert-butyl-6-methyl-5-(trifluoromethyl)pyrimidine?
4-tert-butyl-6-methyl-5-(trifluoromethyl)pyrimidine has a molecular weight of 218.22 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-methyl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 66615490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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