5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine

C10H13F3N2 — CID 59539527

IUPAC5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)(C)Cc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C10H13F3N2/c1-9(2,3)4-7-5-14-8(15-6-7)10(11,12)13/h5-6H,4H2,1-3H3
InChIKeyDHINAMTZKREZSP-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.08
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine

5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 59539527) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine
PubChem CID59539527
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)(C)Cc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C10H13F3N2/c1-9(2,3)4-7-5-14-8(15-6-7)10(11,12)13/h5-6H,4H2,1-3H3
InChIKeyDHINAMTZKREZSP-UHFFFAOYSA-N
XLogP3.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine (CID 59539527) is 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine is CC(C)(C)Cc1cnc(C(F)(F)F)nc1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is DHINAMTZKREZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-9(2,3)4-7-5-14-8(15-6-7)10(11,12)13/h5-6H,4H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine?
5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 218.22 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 59539527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).