1-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

C24H24F3N3O5 — CID 174497600

IUPAC1-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESCOCCn1cc(C(=O)NCCc2ccccc2OC)c(=O)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C24H24F3N3O5/c1-34-13-12-29-15-19(21(31)28-11-10-16-6-3-4-9-20(16)35-2)22(32)30(23(29)33)18-8-5-7-17(14-18)24(25,26)27/h3-9,14-15H,10-13H2,1-2H3,(H,28,31)
InChIKeyUAWRUTCOLSSSLJ-UHFFFAOYSA-N
MW491.47 g/mol
LogP2.65
Rot. Bonds9

About 1-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

1-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (PubChem CID 174497600) has the molecular formula C24H24F3N3O5 and a molecular weight of 491.47 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
PubChem CID174497600
Molecular FormulaC24H24F3N3O5
Molecular Weight491.47 g/mol
Exact Mass491.17
IUPAC Name1-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESCOCCn1cc(C(=O)NCCc2ccccc2OC)c(=O)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C24H24F3N3O5/c1-34-13-12-29-15-19(21(31)28-11-10-16-6-3-4-9-20(16)35-2)22(32)30(23(29)33)18-8-5-7-17(14-18)24(25,26)27/h3-9,14-15H,10-13H2,1-2H3,(H,28,31)
InChIKeyUAWRUTCOLSSSLJ-UHFFFAOYSA-N
XLogP2.65
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-butyl-3-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide
CID 174497666
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 69441638
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 106260904
N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 2713294
N-[2-(2-methoxyphenyl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53085401
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618
N-[2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzamide
CID 26778040
N-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 27757113
2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 584158
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510041
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9049975

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (CID 174497600) is 1-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is COCCn1cc(C(=O)NCCc2ccccc2OC)c(=O)n(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is UAWRUTCOLSSSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O5/c1-34-13-12-29-15-19(21(31)28-11-10-16-6-3-4-9-20(16)35-2)22(32)30(23(29)33)18-8-5-7-17(14-18)24(25,26)27/h3-9,14-15H,10-13H2,1-2H3,(H,28,31).
What are the key properties of 1-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
1-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 491.47 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 174497600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).