N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide

C20H16F3N3O2 — CID 91969154

IUPACN-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide
SMILESCc1nc(Oc2ccccc2)nc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3N3O2/c1-12-17(13(2)25-19(24-12)28-16-6-4-3-5-7-16)26-18(27)14-8-10-15(11-9-14)20(21,22)23/h3-11H,1-2H3,(H,26,27)
InChIKeyLVRVMHYXJWBULL-UHFFFAOYSA-N
MW387.36 g/mol
LogP5.16
Rot. Bonds4

About N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide

N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 91969154) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID91969154
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC NameN-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide
SMILESCc1nc(Oc2ccccc2)nc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3N3O2/c1-12-17(13(2)25-19(24-12)28-16-6-4-3-5-7-16)26-18(27)14-8-10-15(11-9-14)20(21,22)23/h3-11H,1-2H3,(H,26,27)
InChIKeyLVRVMHYXJWBULL-UHFFFAOYSA-N
XLogP5.16
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.36
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 91969103
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
CID 122303779
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide
CID 122303589
1-(4-tert-butylphenyl)-3-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)urea
CID 122303902
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2,5-dimethylbenzamide
CID 122303609
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-4-methylbenzamide
CID 122303223
4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide
CID 91969101
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-1-methyltriazole-4-carboxamide
CID 122303758
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 122357061
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-phenoxybenzamide
CID 122302706
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide
CID 91969122
N-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide
CID 43152274

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide (CID 91969154) is N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide is Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is LVRVMHYXJWBULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-12-17(13(2)25-19(24-12)28-16-6-4-3-5-7-16)26-18(27)14-8-10-15(11-9-14)20(21,22)23/h3-11H,1-2H3,(H,26,27).
What are the key properties of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 387.36 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 91969154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).