5-ethyl-1-methyl-2-[2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]oxyphenyl]ethoxy]pyrimidin-4-one

C20H19F3N4O3 — CID 67775494

IUPAC5-ethyl-1-methyl-2-[2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]oxyphenyl]ethoxy]pyrimidin-4-one
SMILESCCc1cn(C)c(OCCc2ccc(Oc3cnc(C(F)(F)F)nc3)cc2)nc1=O
InChIInChI=1S/C20H19F3N4O3/c1-3-14-12-27(2)19(26-17(14)28)29-9-8-13-4-6-15(7-5-13)30-16-10-24-18(25-11-16)20(21,22)23/h4-7,10-12H,3,8-9H2,1-2H3
InChIKeyLPFFZSCABMSXPR-UHFFFAOYSA-N
MW420.39 g/mol
LogP3.57
Rot. Bonds7

About 5-ethyl-1-methyl-2-[2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]oxyphenyl]ethoxy]pyrimidin-4-one

5-ethyl-1-methyl-2-[2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]oxyphenyl]ethoxy]pyrimidin-4-one (PubChem CID 67775494) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is 5-ethyl-1-methyl-2-[2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]oxyphenyl]ethoxy]pyrimidin-4-one.

Molecular Properties

Compound Name5-ethyl-1-methyl-2-[2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]oxyphenyl]ethoxy]pyrimidin-4-one
PubChem CID67775494
Molecular FormulaC20H19F3N4O3
Molecular Weight420.39 g/mol
Exact Mass420.14
IUPAC Name5-ethyl-1-methyl-2-[2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]oxyphenyl]ethoxy]pyrimidin-4-one
SMILESCCc1cn(C)c(OCCc2ccc(Oc3cnc(C(F)(F)F)nc3)cc2)nc1=O
InChIInChI=1S/C20H19F3N4O3/c1-3-14-12-27(2)19(26-17(14)28)29-9-8-13-4-6-15(7-5-13)30-16-10-24-18(25-11-16)20(21,22)23/h4-7,10-12H,3,8-9H2,1-2H3
InChIKeyLPFFZSCABMSXPR-UHFFFAOYSA-N
XLogP3.57
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-2-[2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]oxyphenyl]ethoxy]pyrimidin-4-one?
The IUPAC name of 5-ethyl-1-methyl-2-[2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]oxyphenyl]ethoxy]pyrimidin-4-one (CID 67775494) is 5-ethyl-1-methyl-2-[2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]oxyphenyl]ethoxy]pyrimidin-4-one.
What is the SMILES notation for 5-ethyl-1-methyl-2-[2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]oxyphenyl]ethoxy]pyrimidin-4-one?
The canonical SMILES for 5-ethyl-1-methyl-2-[2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]oxyphenyl]ethoxy]pyrimidin-4-one is CCc1cn(C)c(OCCc2ccc(Oc3cnc(C(F)(F)F)nc3)cc2)nc1=O.
What is the InChIKey of 5-ethyl-1-methyl-2-[2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]oxyphenyl]ethoxy]pyrimidin-4-one?
The InChIKey is LPFFZSCABMSXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c1-3-14-12-27(2)19(26-17(14)28)29-9-8-13-4-6-15(7-5-13)30-16-10-24-18(25-11-16)20(21,22)23/h4-7,10-12H,3,8-9H2,1-2H3.
What are the key properties of 5-ethyl-1-methyl-2-[2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]oxyphenyl]ethoxy]pyrimidin-4-one?
5-ethyl-1-methyl-2-[2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]oxyphenyl]ethoxy]pyrimidin-4-one has a molecular weight of 420.39 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-2-[2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]oxyphenyl]ethoxy]pyrimidin-4-one is sourced from PubChem (CID 67775494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).