5-methoxy-4-phenoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine

C18H13F3N2O2 — CID 1472607

IUPAC5-methoxy-4-phenoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCOc1cnc(-c2cccc(C(F)(F)F)c2)nc1Oc1ccccc1
InChIInChI=1S/C18H13F3N2O2/c1-24-15-11-22-16(12-6-5-7-13(10-12)18(19,20)21)23-17(15)25-14-8-3-2-4-9-14/h2-11H,1H3
InChIKeyRXZABJLMDVAUSH-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.96
Rot. Bonds4

About 5-methoxy-4-phenoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine

5-methoxy-4-phenoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 1472607) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 5-methoxy-4-phenoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name5-methoxy-4-phenoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine
PubChem CID1472607
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name5-methoxy-4-phenoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCOc1cnc(-c2cccc(C(F)(F)F)c2)nc1Oc1ccccc1
InChIInChI=1S/C18H13F3N2O2/c1-24-15-11-22-16(12-6-5-7-13(10-12)18(19,20)21)23-17(15)25-14-8-3-2-4-9-14/h2-11H,1H3
InChIKeyRXZABJLMDVAUSH-UHFFFAOYSA-N
XLogP4.96
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-Dimethoxy-2-phenylpyrimidine
CID 2767862
4-(2,4-Difluorophenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidine
CID 1470718
4-(4-Chloro-2-methylphenoxy)-5-methoxy-2-phenylpyrimidine
CID 1472566
4,5-Dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 1472604
2-[2-[[3,5-Bis(trifluoromethyl)phenyl]methyl-[[2-(2-methoxy-5-propan-2-ylphenyl)-5,5-dimethylcyclohexen-1-yl]methyl]amino]pyrimidin-5-yl]oxyethanol
CID 134132448
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)-N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5,5-dimethylcyclohexen-1-yl]methyl]pyrimidin-2-amine
CID 134150151
2-[6-Amino-2-(3-fluorophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol
CID 156704957
5-Methoxy-4-(2-methylphenoxy)-2-phenylpyrimidine
CID 1472564
5-Methoxy-4-(3-methylphenoxy)-2-phenylpyrimidine
CID 1472565
4-(2,6-Dimethylphenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidine
CID 1474153
4-[4-(Tert-butyl)phenoxy]-2-(2-pyridinyl)-5-pyrimidinyl methyl ether
CID 3848313
4-Chloro-5-phenoxy-2-phenylpyrimidine
CID 824762

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-phenoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 5-methoxy-4-phenoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine (CID 1472607) is 5-methoxy-4-phenoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 5-methoxy-4-phenoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 5-methoxy-4-phenoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine is COc1cnc(-c2cccc(C(F)(F)F)c2)nc1Oc1ccccc1.
What is the InChIKey of 5-methoxy-4-phenoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is RXZABJLMDVAUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c1-24-15-11-22-16(12-6-5-7-13(10-12)18(19,20)21)23-17(15)25-14-8-3-2-4-9-14/h2-11H,1H3.
What are the key properties of 5-methoxy-4-phenoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine?
5-methoxy-4-phenoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 346.31 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-phenoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 1472607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).