4,6-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine

C13H11F3N2O2 — CID 2782656

IUPAC4,6-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCOc1cc(OC)nc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H11F3N2O2/c1-19-10-7-11(20-2)18-12(17-10)8-4-3-5-9(6-8)13(14,15)16/h3-7H,1-2H3
InChIKeyXZDOHPKJQRLGER-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.18
Rot. Bonds3

About 4,6-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine

4,6-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 2782656) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 4,6-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine
PubChem CID2782656
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name4,6-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCOc1cc(OC)nc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H11F3N2O2/c1-19-10-7-11(20-2)18-12(17-10)8-4-3-5-9(6-8)13(14,15)16/h3-7H,1-2H3
InChIKeyXZDOHPKJQRLGER-UHFFFAOYSA-N
XLogP3.18
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4,6-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine (CID 2782656) is 4,6-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine is COc1cc(OC)nc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 4,6-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is XZDOHPKJQRLGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-19-10-7-11(20-2)18-12(17-10)8-4-3-5-9(6-8)13(14,15)16/h3-7H,1-2H3.
What are the key properties of 4,6-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine?
4,6-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 284.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 2782656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).