4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;ethane

C15H21F3N4 — CID 145136419

IUPAC4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;ethane
SMILESCC.CC.Cc1cc(C)nc(-c2cnc(C(F)(F)F)nc2)n1
InChIInChI=1S/C11H9F3N4.2C2H6/c1-6-3-7(2)18-9(17-6)8-4-15-10(16-5-8)11(12,13)14;2*1-2/h3-5H,1-2H3;2*1-2H3
InChIKeyBWDHQIQVRKCJRZ-UHFFFAOYSA-N
MW314.36 g/mol
LogP4.62
Rot. Bonds1

About 4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;ethane

4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;ethane (PubChem CID 145136419) has the molecular formula C15H21F3N4 and a molecular weight of 314.36 g/mol. Its IUPAC name is 4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;ethane.

Molecular Properties

Compound Name4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;ethane
PubChem CID145136419
Molecular FormulaC15H21F3N4
Molecular Weight314.36 g/mol
Exact Mass314.17
IUPAC Name4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;ethane
SMILESCC.CC.Cc1cc(C)nc(-c2cnc(C(F)(F)F)nc2)n1
InChIInChI=1S/C11H9F3N4.2C2H6/c1-6-3-7(2)18-9(17-6)8-4-15-10(16-5-8)11(12,13)14;2*1-2/h3-5H,1-2H3;2*1-2H3
InChIKeyBWDHQIQVRKCJRZ-UHFFFAOYSA-N
XLogP4.62
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;ethane?
The IUPAC name of 4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;ethane (CID 145136419) is 4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;ethane.
What is the SMILES notation for 4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;ethane?
The canonical SMILES for 4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;ethane is CC.CC.Cc1cc(C)nc(-c2cnc(C(F)(F)F)nc2)n1.
What is the InChIKey of 4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;ethane?
The InChIKey is BWDHQIQVRKCJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4.2C2H6/c1-6-3-7(2)18-9(17-6)8-4-15-10(16-5-8)11(12,13)14;2*1-2/h3-5H,1-2H3;2*1-2H3.
What are the key properties of 4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;ethane?
4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;ethane has a molecular weight of 314.36 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;ethane is sourced from PubChem (CID 145136419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).