2-[6-oxo-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-yl]acetamide

C14H9F6N3O3 — CID 137045562

IUPAC2-[6-oxo-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-yl]acetamide
SMILESNC(=O)Cc1nc(C(F)(F)F)c(Oc2cccc(C(F)(F)F)c2)c(=O)[nH]1
InChIInChI=1S/C14H9F6N3O3/c15-13(16,17)6-2-1-3-7(4-6)26-10-11(14(18,19)20)22-9(5-8(21)24)23-12(10)25/h1-4H,5H2,(H2,21,24)(H,22,23,25)
InChIKeyBWTHCKNEPGIOOP-UHFFFAOYSA-N
MW381.23 g/mol
LogP2.63
Rot. Bonds4

About 2-[6-oxo-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-yl]acetamide

2-[6-oxo-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-yl]acetamide (PubChem CID 137045562) has the molecular formula C14H9F6N3O3 and a molecular weight of 381.23 g/mol. Its IUPAC name is 2-[6-oxo-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[6-oxo-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-yl]acetamide
PubChem CID137045562
Molecular FormulaC14H9F6N3O3
Molecular Weight381.23 g/mol
Exact Mass381.05
IUPAC Name2-[6-oxo-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-yl]acetamide
SMILESNC(=O)Cc1nc(C(F)(F)F)c(Oc2cccc(C(F)(F)F)c2)c(=O)[nH]1
InChIInChI=1S/C14H9F6N3O3/c15-13(16,17)6-2-1-3-7(4-6)26-10-11(14(18,19)20)22-9(5-8(21)24)23-12(10)25/h1-4H,5H2,(H2,21,24)(H,22,23,25)
InChIKeyBWTHCKNEPGIOOP-UHFFFAOYSA-N
XLogP2.63
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-oxo-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-yl]acetamide?
The IUPAC name of 2-[6-oxo-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-yl]acetamide (CID 137045562) is 2-[6-oxo-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-[6-oxo-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-yl]acetamide?
The canonical SMILES for 2-[6-oxo-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-yl]acetamide is NC(=O)Cc1nc(C(F)(F)F)c(Oc2cccc(C(F)(F)F)c2)c(=O)[nH]1.
What is the InChIKey of 2-[6-oxo-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-yl]acetamide?
The InChIKey is BWTHCKNEPGIOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N3O3/c15-13(16,17)6-2-1-3-7(4-6)26-10-11(14(18,19)20)22-9(5-8(21)24)23-12(10)25/h1-4H,5H2,(H2,21,24)(H,22,23,25).
What are the key properties of 2-[6-oxo-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-yl]acetamide?
2-[6-oxo-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-yl]acetamide has a molecular weight of 381.23 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-oxo-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-yl]acetamide is sourced from PubChem (CID 137045562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).