[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C18H19F3N4O3 — CID 42154432

IUPAC[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCOc1cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc(OC)n1
InChIInChI=1S/C18H19F3N4O3/c1-27-15-11-14(22-17(23-15)28-2)24-7-9-25(10-8-24)16(26)12-5-3-4-6-13(12)18(19,20)21/h3-6,11H,7-10H2,1-2H3
InChIKeyAZUDTZRTYAHGFC-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.47
Rot. Bonds4

About [4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 42154432) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is [4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID42154432
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC Name[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCOc1cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc(OC)n1
InChIInChI=1S/C18H19F3N4O3/c1-27-15-11-14(22-17(23-15)28-2)24-7-9-25(10-8-24)16(26)12-5-3-4-6-13(12)18(19,20)21/h3-6,11H,7-10H2,1-2H3
InChIKeyAZUDTZRTYAHGFC-UHFFFAOYSA-N
XLogP2.47
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 121065286
2-methoxy-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 68740181
4-(2,6-dimethoxypyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 42154575
[4-(6-phenoxypyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 30774042
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 13298543
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 42473268
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 121053728
[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 56923292
[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 46093497
[4-[5-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 71083396
[4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 11559214
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 42154432) is [4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is COc1cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc(OC)n1.
What is the InChIKey of [4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is AZUDTZRTYAHGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c1-27-15-11-14(22-17(23-15)28-2)24-7-9-25(10-8-24)16(26)12-5-3-4-6-13(12)18(19,20)21/h3-6,11H,7-10H2,1-2H3.
What are the key properties of [4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 396.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 42154432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).