N-[2,6-bis[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]acetamide

C20H13F6N3O3 — CID 71570218

IUPACN-[2,6-bis[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(OC(F)(F)F)cc2)nc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C20H13F6N3O3/c1-11(30)27-17-10-16(12-2-6-14(7-3-12)31-19(21,22)23)28-18(29-17)13-4-8-15(9-5-13)32-20(24,25)26/h2-10H,1H3,(H,27,28,29,30)
InChIKeyHRYWREMKZDRYFJ-UHFFFAOYSA-N
MW457.33 g/mol
LogP5.57
Rot. Bonds5

About N-[2,6-bis[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]acetamide

N-[2,6-bis[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]acetamide (PubChem CID 71570218) has the molecular formula C20H13F6N3O3 and a molecular weight of 457.33 g/mol. Its IUPAC name is N-[2,6-bis[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2,6-bis[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]acetamide
PubChem CID71570218
Molecular FormulaC20H13F6N3O3
Molecular Weight457.33 g/mol
Exact Mass457.09
IUPAC NameN-[2,6-bis[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(OC(F)(F)F)cc2)nc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C20H13F6N3O3/c1-11(30)27-17-10-16(12-2-6-14(7-3-12)31-19(21,22)23)28-18(29-17)13-4-8-15(9-5-13)32-20(24,25)26/h2-10H,1H3,(H,27,28,29,30)
InChIKeyHRYWREMKZDRYFJ-UHFFFAOYSA-N
XLogP5.57
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.33
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-bis[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2,6-bis[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]acetamide (CID 71570218) is N-[2,6-bis[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2,6-bis[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2,6-bis[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2ccc(OC(F)(F)F)cc2)nc(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of N-[2,6-bis[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]acetamide?
The InChIKey is HRYWREMKZDRYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6N3O3/c1-11(30)27-17-10-16(12-2-6-14(7-3-12)31-19(21,22)23)28-18(29-17)13-4-8-15(9-5-13)32-20(24,25)26/h2-10H,1H3,(H,27,28,29,30).
What are the key properties of N-[2,6-bis[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]acetamide?
N-[2,6-bis[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]acetamide has a molecular weight of 457.33 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-bis[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 71570218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).