4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[3-(trifluoromethyl)phenyl]ethoxy]pyrimidine

C19H17F3N4O — CID 3250094

IUPAC4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[3-(trifluoromethyl)phenyl]ethoxy]pyrimidine
SMILESCc1cc(C)nc(OC(Cc2ccncn2)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H17F3N4O/c1-12-8-13(2)26-18(25-12)27-17(10-16-6-7-23-11-24-16)14-4-3-5-15(9-14)19(20,21)22/h3-9,11,17H,10H2,1-2H3
InChIKeyDXJAJCAURDZVMM-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.27
Rot. Bonds5

About 4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[3-(trifluoromethyl)phenyl]ethoxy]pyrimidine

4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[3-(trifluoromethyl)phenyl]ethoxy]pyrimidine (PubChem CID 3250094) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[3-(trifluoromethyl)phenyl]ethoxy]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[3-(trifluoromethyl)phenyl]ethoxy]pyrimidine
PubChem CID3250094
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[3-(trifluoromethyl)phenyl]ethoxy]pyrimidine
SMILESCc1cc(C)nc(OC(Cc2ccncn2)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H17F3N4O/c1-12-8-13(2)26-18(25-12)27-17(10-16-6-7-23-11-24-16)14-4-3-5-15(9-14)19(20,21)22/h3-9,11,17H,10H2,1-2H3
InChIKeyDXJAJCAURDZVMM-UHFFFAOYSA-N
XLogP4.27
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[3-(trifluoromethyl)phenyl]ethoxy]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[3-(trifluoromethyl)phenyl]ethoxy]pyrimidine (CID 3250094) is 4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[3-(trifluoromethyl)phenyl]ethoxy]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[3-(trifluoromethyl)phenyl]ethoxy]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[3-(trifluoromethyl)phenyl]ethoxy]pyrimidine is Cc1cc(C)nc(OC(Cc2ccncn2)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[3-(trifluoromethyl)phenyl]ethoxy]pyrimidine?
The InChIKey is DXJAJCAURDZVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-12-8-13(2)26-18(25-12)27-17(10-16-6-7-23-11-24-16)14-4-3-5-15(9-14)19(20,21)22/h3-9,11,17H,10H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[3-(trifluoromethyl)phenyl]ethoxy]pyrimidine?
4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[3-(trifluoromethyl)phenyl]ethoxy]pyrimidine has a molecular weight of 374.37 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[3-(trifluoromethyl)phenyl]ethoxy]pyrimidine is sourced from PubChem (CID 3250094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).