6-methyl-2-(2-oxopropyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide

C17H16F3N3O3 — CID 162043031

IUPAC6-methyl-2-(2-oxopropyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide
SMILESCC(=O)Cc1nc(C)cc(C(=O)NCc2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C17H16F3N3O3/c1-10-6-14(23-15(22-10)7-11(2)24)16(25)21-9-12-4-3-5-13(8-12)26-17(18,19)20/h3-6,8H,7,9H2,1-2H3,(H,21,25)
InChIKeyYXNLJUGNHXUWNR-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.75
Rot. Bonds6

About 6-methyl-2-(2-oxopropyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide

6-methyl-2-(2-oxopropyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide (PubChem CID 162043031) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is 6-methyl-2-(2-oxopropyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(2-oxopropyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide
PubChem CID162043031
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name6-methyl-2-(2-oxopropyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide
SMILESCC(=O)Cc1nc(C)cc(C(=O)NCc2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C17H16F3N3O3/c1-10-6-14(23-15(22-10)7-11(2)24)16(25)21-9-12-4-3-5-13(8-12)26-17(18,19)20/h3-6,8H,7,9H2,1-2H3,(H,21,25)
InChIKeyYXNLJUGNHXUWNR-UHFFFAOYSA-N
XLogP2.75
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide
CID 10142418
2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide
CID 157486902
2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 29182663
1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 71250825
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 162025687
3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
CID 66791237
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 90506242
2,5-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-1-amine
CID 107104507
1-(2,6-diethylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 3818160
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 68701338
1-(4-aminobutyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 144992720

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-oxopropyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-(2-oxopropyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide (CID 162043031) is 6-methyl-2-(2-oxopropyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(2-oxopropyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-(2-oxopropyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide is CC(=O)Cc1nc(C)cc(C(=O)NCc2cccc(OC(F)(F)F)c2)n1.
What is the InChIKey of 6-methyl-2-(2-oxopropyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide?
The InChIKey is YXNLJUGNHXUWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-10-6-14(23-15(22-10)7-11(2)24)16(25)21-9-12-4-3-5-13(8-12)26-17(18,19)20/h3-6,8H,7,9H2,1-2H3,(H,21,25).
What are the key properties of 6-methyl-2-(2-oxopropyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide?
6-methyl-2-(2-oxopropyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide has a molecular weight of 367.33 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-oxopropyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 162043031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).