[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C20H25F3N6O — CID 133418335

IUPAC[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCC(C)c1nc(N(C)C)nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C20H25F3N6O/c1-13(2)16-24-18(27(3)4)26-19(25-16)29-11-9-28(10-12-29)17(30)14-5-7-15(8-6-14)20(21,22)23/h5-8,13H,9-12H2,1-4H3
InChIKeyQVDKLOZXASCZMD-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.04
Rot. Bonds4

About [4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 133418335) has the molecular formula C20H25F3N6O and a molecular weight of 422.46 g/mol. Its IUPAC name is [4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID133418335
Molecular FormulaC20H25F3N6O
Molecular Weight422.46 g/mol
Exact Mass422.20
IUPAC Name[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCC(C)c1nc(N(C)C)nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C20H25F3N6O/c1-13(2)16-24-18(27(3)4)26-19(25-16)29-11-9-28(10-12-29)17(30)14-5-7-15(8-6-14)20(21,22)23/h5-8,13H,9-12H2,1-4H3
InChIKeyQVDKLOZXASCZMD-UHFFFAOYSA-N
XLogP3.04
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dichlorophenyl)-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]methanone
CID 133433566
[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113078761
[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 27477571
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752
[4-(dimethylamino)-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46160361
(2S)-2-amino-4-methyl-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pentan-1-one
CID 119729298
[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108741320
[4-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809741
ethyl 4-[6-(trifluoromethyl)cyclohepta[d]imidazol-2-yl]piperazine-1-carboxylate
CID 54568628
2-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-N-phenylacetamide
CID 133433238
thiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone
CID 146080386
[4-(4-bromobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108534348

Frequently Asked Questions

What is the IUPAC name of [4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 133418335) is [4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is CC(C)c1nc(N(C)C)nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1.
What is the InChIKey of [4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is QVDKLOZXASCZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N6O/c1-13(2)16-24-18(27(3)4)26-19(25-16)29-11-9-28(10-12-29)17(30)14-5-7-15(8-6-14)20(21,22)23/h5-8,13H,9-12H2,1-4H3.
What are the key properties of [4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 422.46 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 133418335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).