2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide

C20H20F3N3O3 — CID 162025687

IUPAC2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cccc(OC(F)(F)F)c2)nc(CC(=O)C2CC2)n1
InChIInChI=1S/C20H20F3N3O3/c1-11-8-16(26-18(24-11)10-17(27)13-6-7-13)19(28)25-12(2)14-4-3-5-15(9-14)29-20(21,22)23/h3-5,8-9,12-13H,6-7,10H2,1-2H3,(H,25,28)
InChIKeyYVILBRBSDXOJSQ-UHFFFAOYSA-N
MW407.39 g/mol
LogP3.70
Rot. Bonds7

About 2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide

2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide (PubChem CID 162025687) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is 2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
PubChem CID162025687
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cccc(OC(F)(F)F)c2)nc(CC(=O)C2CC2)n1
InChIInChI=1S/C20H20F3N3O3/c1-11-8-16(26-18(24-11)10-17(27)13-6-7-13)19(28)25-12(2)14-4-3-5-15(9-14)29-20(21,22)23/h3-5,8-9,12-13H,6-7,10H2,1-2H3,(H,25,28)
InChIKeyYVILBRBSDXOJSQ-UHFFFAOYSA-N
XLogP3.70
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 159988317
2-(cyclopropanecarbonylamino)-6-methyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 67510555
2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide
CID 157486902
6-methyl-2-(2-oxopropyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide
CID 162043031
4-N-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]-2-N-ethyl-6-methylpyridine-2,4-dicarboxamide
CID 162566171
6-[methyl(propyl)amino]-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 174811478
3-[1-[3-(trifluoromethoxy)phenyl]ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 139022010
butan-2-amine;N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 171931063
methyl 5-[1-[3-(trifluoromethoxy)phenyl]ethylcarbamoyl]thiophene-2-carboxylate
CID 69052819
6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 174811246
2-(3-methyl-2-oxobutyl)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 159341282
2-(2-pyrrolidin-1-ylethyl)-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 10435316

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide (CID 162025687) is 2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)NC(C)c2cccc(OC(F)(F)F)c2)nc(CC(=O)C2CC2)n1.
What is the InChIKey of 2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide?
The InChIKey is YVILBRBSDXOJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c1-11-8-16(26-18(24-11)10-17(27)13-6-7-13)19(28)25-12(2)14-4-3-5-15(9-14)29-20(21,22)23/h3-5,8-9,12-13H,6-7,10H2,1-2H3,(H,25,28).
What are the key properties of 2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide?
2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide has a molecular weight of 407.39 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 162025687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).