[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C18H21F3N6O — CID 126888363

IUPAC[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCN(C)c1cc(NC2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)ncn1
InChIInChI=1S/C18H21F3N6O/c1-26(2)16-9-15(23-11-24-16)25-13-5-7-27(8-6-13)17(28)12-3-4-14(22-10-12)18(19,20)21/h3-4,9-11,13H,5-8H2,1-2H3,(H,23,24,25)
InChIKeyANRYIQPKZMYPGN-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.67
Rot. Bonds4

About [4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 126888363) has the molecular formula C18H21F3N6O and a molecular weight of 394.40 g/mol. Its IUPAC name is [4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID126888363
Molecular FormulaC18H21F3N6O
Molecular Weight394.40 g/mol
Exact Mass394.17
IUPAC Name[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCN(C)c1cc(NC2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)ncn1
InChIInChI=1S/C18H21F3N6O/c1-26(2)16-9-15(23-11-24-16)25-13-5-7-27(8-6-13)17(28)12-3-4-14(22-10-12)18(19,20)21/h3-4,9-11,13H,5-8H2,1-2H3,(H,23,24,25)
InChIKeyANRYIQPKZMYPGN-UHFFFAOYSA-N
XLogP2.67
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

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Related Compounds

3H-benzimidazol-5-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 126888383
4-N,4-N-dimethyl-6-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 126877477
(2-chlorophenyl)-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 171334208
[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882
[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 126888429
4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 171689724
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
3-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126888381
[6-(dimethylamino)-3-pyridinyl]-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]methanone
CID 129343902
(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119375608
(4-ethoxyphenyl)-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]methanone
CID 133432626
1,3-benzothiazol-2-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 126888348

Frequently Asked Questions

What is the IUPAC name of [4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 126888363) is [4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is CN(C)c1cc(NC2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)ncn1.
What is the InChIKey of [4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is ANRYIQPKZMYPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6O/c1-26(2)16-9-15(23-11-24-16)25-13-5-7-27(8-6-13)17(28)12-3-4-14(22-10-12)18(19,20)21/h3-4,9-11,13H,5-8H2,1-2H3,(H,23,24,25).
What are the key properties of [4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 394.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 126888363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).