4,6-dimethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine

C10H13F3N2 — CID 21334151

IUPAC4,6-dimethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCc1nc(C(F)(F)F)nc(C)c1C(C)C
InChIInChI=1S/C10H13F3N2/c1-5(2)8-6(3)14-9(10(11,12)13)15-7(8)4/h5H,1-4H3
InChIKeyOXDDFQVOLFHKNW-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.24
Rot. Bonds1

About 4,6-dimethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine

4,6-dimethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 21334151) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4,6-dimethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine
PubChem CID21334151
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name4,6-dimethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCc1nc(C(F)(F)F)nc(C)c1C(C)C
InChIInChI=1S/C10H13F3N2/c1-5(2)8-6(3)14-9(10(11,12)13)15-7(8)4/h5H,1-4H3
InChIKeyOXDDFQVOLFHKNW-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4,6-dimethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine (CID 21334151) is 4,6-dimethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4,6-dimethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4,6-dimethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine is Cc1nc(C(F)(F)F)nc(C)c1C(C)C.
What is the InChIKey of 4,6-dimethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The InChIKey is OXDDFQVOLFHKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-5(2)8-6(3)14-9(10(11,12)13)15-7(8)4/h5H,1-4H3.
What are the key properties of 4,6-dimethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
4,6-dimethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 218.22 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 21334151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).