ethyl 5-methoxy-1-methyl-2-[methyl-[phenyl-[2-(trifluoromethyl)phenyl]methyl]amino]-6-oxopyrimidine-4-carboxylate

C24H24F3N3O4 — CID 155590430

IUPACethyl 5-methoxy-1-methyl-2-[methyl-[phenyl-[2-(trifluoromethyl)phenyl]methyl]amino]-6-oxopyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(N(C)C(c2ccccc2)c2ccccc2C(F)(F)F)n(C)c(=O)c1OC
InChIInChI=1S/C24H24F3N3O4/c1-5-34-22(32)18-20(33-4)21(31)30(3)23(28-18)29(2)19(15-11-7-6-8-12-15)16-13-9-10-14-17(16)24(25,26)27/h6-14,19H,5H2,1-4H3
InChIKeyKNKIOPLTORXFJJ-UHFFFAOYSA-N
MW475.47 g/mol
LogP4.21
Rot. Bonds7

About ethyl 5-methoxy-1-methyl-2-[methyl-[phenyl-[2-(trifluoromethyl)phenyl]methyl]amino]-6-oxopyrimidine-4-carboxylate

ethyl 5-methoxy-1-methyl-2-[methyl-[phenyl-[2-(trifluoromethyl)phenyl]methyl]amino]-6-oxopyrimidine-4-carboxylate (PubChem CID 155590430) has the molecular formula C24H24F3N3O4 and a molecular weight of 475.47 g/mol. Its IUPAC name is ethyl 5-methoxy-1-methyl-2-[methyl-[phenyl-[2-(trifluoromethyl)phenyl]methyl]amino]-6-oxopyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methoxy-1-methyl-2-[methyl-[phenyl-[2-(trifluoromethyl)phenyl]methyl]amino]-6-oxopyrimidine-4-carboxylate
PubChem CID155590430
Molecular FormulaC24H24F3N3O4
Molecular Weight475.47 g/mol
Exact Mass475.17
IUPAC Nameethyl 5-methoxy-1-methyl-2-[methyl-[phenyl-[2-(trifluoromethyl)phenyl]methyl]amino]-6-oxopyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(N(C)C(c2ccccc2)c2ccccc2C(F)(F)F)n(C)c(=O)c1OC
InChIInChI=1S/C24H24F3N3O4/c1-5-34-22(32)18-20(33-4)21(31)30(3)23(28-18)29(2)19(15-11-7-6-8-12-15)16-13-9-10-14-17(16)24(25,26)27/h6-14,19H,5H2,1-4H3
InChIKeyKNKIOPLTORXFJJ-UHFFFAOYSA-N
XLogP4.21
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-1-methyl-2-[methyl-[phenyl-[2-(trifluoromethyl)phenyl]methyl]amino]-6-oxopyrimidine-4-carboxylate?
The IUPAC name of ethyl 5-methoxy-1-methyl-2-[methyl-[phenyl-[2-(trifluoromethyl)phenyl]methyl]amino]-6-oxopyrimidine-4-carboxylate (CID 155590430) is ethyl 5-methoxy-1-methyl-2-[methyl-[phenyl-[2-(trifluoromethyl)phenyl]methyl]amino]-6-oxopyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 5-methoxy-1-methyl-2-[methyl-[phenyl-[2-(trifluoromethyl)phenyl]methyl]amino]-6-oxopyrimidine-4-carboxylate?
The canonical SMILES for ethyl 5-methoxy-1-methyl-2-[methyl-[phenyl-[2-(trifluoromethyl)phenyl]methyl]amino]-6-oxopyrimidine-4-carboxylate is CCOC(=O)c1nc(N(C)C(c2ccccc2)c2ccccc2C(F)(F)F)n(C)c(=O)c1OC.
What is the InChIKey of ethyl 5-methoxy-1-methyl-2-[methyl-[phenyl-[2-(trifluoromethyl)phenyl]methyl]amino]-6-oxopyrimidine-4-carboxylate?
The InChIKey is KNKIOPLTORXFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O4/c1-5-34-22(32)18-20(33-4)21(31)30(3)23(28-18)29(2)19(15-11-7-6-8-12-15)16-13-9-10-14-17(16)24(25,26)27/h6-14,19H,5H2,1-4H3.
What are the key properties of ethyl 5-methoxy-1-methyl-2-[methyl-[phenyl-[2-(trifluoromethyl)phenyl]methyl]amino]-6-oxopyrimidine-4-carboxylate?
ethyl 5-methoxy-1-methyl-2-[methyl-[phenyl-[2-(trifluoromethyl)phenyl]methyl]amino]-6-oxopyrimidine-4-carboxylate has a molecular weight of 475.47 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-1-methyl-2-[methyl-[phenyl-[2-(trifluoromethyl)phenyl]methyl]amino]-6-oxopyrimidine-4-carboxylate is sourced from PubChem (CID 155590430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).