3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one

C15H23F3N6O — CID 133421694

IUPAC3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
SMILESCC(C)c1nc(NC2CCCN(CC(F)(F)F)C2=O)nc(N(C)C)n1
InChIInChI=1S/C15H23F3N6O/c1-9(2)11-20-13(22-14(21-11)23(3)4)19-10-6-5-7-24(12(10)25)8-15(16,17)18/h9-10H,5-8H2,1-4H3,(H,19,20,21,22)
InChIKeyTVPBMTFWSANTKQ-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.03
Rot. Bonds5

About 3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one

3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one (PubChem CID 133421694) has the molecular formula C15H23F3N6O and a molecular weight of 360.38 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
PubChem CID133421694
Molecular FormulaC15H23F3N6O
Molecular Weight360.38 g/mol
Exact Mass360.19
IUPAC Name3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
SMILESCC(C)c1nc(NC2CCCN(CC(F)(F)F)C2=O)nc(N(C)C)n1
InChIInChI=1S/C15H23F3N6O/c1-9(2)11-20-13(22-14(21-11)23(3)4)19-10-6-5-7-24(12(10)25)8-15(16,17)18/h9-10H,5-8H2,1-4H3,(H,19,20,21,22)
InChIKeyTVPBMTFWSANTKQ-UHFFFAOYSA-N
XLogP2.03
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-N-(1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl)-4-methylpentanamide
CID 597304
(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[(3S,5R)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3,5-dimethylpiperazin-1-yl]pyrrolidin-2-yl]methanone
CID 68811990
1-[4-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 86868070
3,3,3-trifluoro-N-((4-methoxy-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)methyl)propanamide
CID 122253603
N-((4-(dimethylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 122254620
1-[4-[[[4-(Dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 133419277
(2S)-1-(4-amino-6-ethyl-1,3,5-triazin-2-yl)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide
CID 167860504
(2S)-1-(4-tert-butyl-1,3,5-triazin-2-yl)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide
CID 167923376
2-Amino-N-(1-[((1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl)amino)carbonyl]-3-methylbutyl)-4-methylpentanamide
CID 624283
4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-2-one
CID 34690909
4-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-2-one
CID 34690913
1-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-ethylpiperidine-4-carboxamide
CID 34768982

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The IUPAC name of 3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one (CID 133421694) is 3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one.
What is the SMILES notation for 3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The canonical SMILES for 3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one is CC(C)c1nc(NC2CCCN(CC(F)(F)F)C2=O)nc(N(C)C)n1.
What is the InChIKey of 3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The InChIKey is TVPBMTFWSANTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N6O/c1-9(2)11-20-13(22-14(21-11)23(3)4)19-10-6-5-7-24(12(10)25)8-15(16,17)18/h9-10H,5-8H2,1-4H3,(H,19,20,21,22).
What are the key properties of 3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one has a molecular weight of 360.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one is sourced from PubChem (CID 133421694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).