4,5-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine

C13H11F3N2O2 — CID 1472604

IUPAC4,5-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCOc1cnc(-c2cccc(C(F)(F)F)c2)nc1OC
InChIInChI=1S/C13H11F3N2O2/c1-19-10-7-17-11(18-12(10)20-2)8-4-3-5-9(6-8)13(14,15)16/h3-7H,1-2H3
InChIKeyFNCKWEGGQJXLHT-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.18
Rot. Bonds3

About 4,5-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine

4,5-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 1472604) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 4,5-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4,5-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine
PubChem CID1472604
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name4,5-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCOc1cnc(-c2cccc(C(F)(F)F)c2)nc1OC
InChIInChI=1S/C13H11F3N2O2/c1-19-10-7-17-11(18-12(10)20-2)8-4-3-5-9(6-8)13(14,15)16/h3-7H,1-2H3
InChIKeyFNCKWEGGQJXLHT-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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Related Compounds

4,5-Dimethoxy-2-phenylpyrimidine
CID 2767862
4-Ethoxy-5-phenoxy-2-phenylpyrimidine
CID 824783
2-(3-Fluorophenyl)-4-methoxypyrimidine
CID 58166154
US11559538, Example 122
CID 148078456
4-Methoxy-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 135043244
4-Methoxy-2-[2-(trifluoromethyl)phenyl]pyrimidine
CID 139257602
4-Methoxy-2-phenylpyrimidine
CID 817446
5-Methoxy-2-phenylpyrimidine
CID 21620168
5-Methoxy-4-phenoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 1472607
5-Methoxy-4-[3-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 1472608
4-(4-Fluorophenoxy)-5-methoxy-2-phenylpyrimidine
CID 1491523
4-Methoxy-2-(4-fluorophenyl)pyrimidine
CID 609362

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4,5-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine (CID 1472604) is 4,5-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4,5-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4,5-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine is COc1cnc(-c2cccc(C(F)(F)F)c2)nc1OC.
What is the InChIKey of 4,5-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is FNCKWEGGQJXLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-19-10-7-17-11(18-12(10)20-2)8-4-3-5-9(6-8)13(14,15)16/h3-7H,1-2H3.
What are the key properties of 4,5-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine?
4,5-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 4,5-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 1472604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).