2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C19H22F3N5O — CID 3406356

IUPAC2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(C)nc(N2CCN(CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C19H22F3N5O/c1-13-10-14(2)24-18(23-13)27-8-6-26(7-9-27)12-17(28)25-16-5-3-4-15(11-16)19(20,21)22/h3-5,10-11H,6-9,12H2,1-2H3,(H,25,28)
InChIKeyKGGZOOOLXWOTFR-UHFFFAOYSA-N
MW393.41 g/mol
LogP2.87
Rot. Bonds4

About 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 3406356) has the molecular formula C19H22F3N5O and a molecular weight of 393.41 g/mol. Its IUPAC name is 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID3406356
Molecular FormulaC19H22F3N5O
Molecular Weight393.41 g/mol
Exact Mass393.18
IUPAC Name2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(C)nc(N2CCN(CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C19H22F3N5O/c1-13-10-14(2)24-18(23-13)27-8-6-26(7-9-27)12-17(28)25-16-5-3-4-15(11-16)19(20,21)22/h3-5,10-11H,6-9,12H2,1-2H3,(H,25,28)
InChIKeyKGGZOOOLXWOTFR-UHFFFAOYSA-N
XLogP2.87
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 3406356) is 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1cc(C)nc(N2CCN(CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1.
What is the InChIKey of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KGGZOOOLXWOTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O/c1-13-10-14(2)24-18(23-13)27-8-6-26(7-9-27)12-17(28)25-16-5-3-4-15(11-16)19(20,21)22/h3-5,10-11H,6-9,12H2,1-2H3,(H,25,28).
What are the key properties of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 393.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3406356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).