1-[4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone

C15H21F3N4O — CID 133472278

IUPAC1-[4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCCc1cc(NCC2CCN(C(=O)C(F)(F)F)CC2)nc(C)n1
InChIInChI=1S/C15H21F3N4O/c1-3-12-8-13(21-10(2)20-12)19-9-11-4-6-22(7-5-11)14(23)15(16,17)18/h8,11H,3-7,9H2,1-2H3,(H,19,20,21)
InChIKeyYXJMUAXMVPXCGD-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.56
Rot. Bonds4

About 1-[4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone

1-[4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 133472278) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-[4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID133472278
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC Name1-[4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCCc1cc(NCC2CCN(C(=O)C(F)(F)F)CC2)nc(C)n1
InChIInChI=1S/C15H21F3N4O/c1-3-12-8-13(21-10(2)20-12)19-9-11-4-6-22(7-5-11)14(23)15(16,17)18/h8,11H,3-7,9H2,1-2H3,(H,19,20,21)
InChIKeyYXJMUAXMVPXCGD-UHFFFAOYSA-N
XLogP2.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone with MolForge

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Related Compounds

4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106130133
2,2,2-trifluoro-1-[4-[[[6-methyl-2-(3-nitrophenyl)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone
CID 133346925
6-ethyl-2-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 80563627
6-ethyl-N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpyrimidin-4-amine
CID 133460671
N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 171993956
1-[4-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 133494380
1-[4-[[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 133429694
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 108932797
6-ethyl-2-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419264
2,2-dimethyl-1-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 110096699
6-ethyl-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 133460649
6-ethyl-2-pyridin-2-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 133302262

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone (CID 133472278) is 1-[4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone is CCc1cc(NCC2CCN(C(=O)C(F)(F)F)CC2)nc(C)n1.
What is the InChIKey of 1-[4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is YXJMUAXMVPXCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-3-12-8-13(21-10(2)20-12)19-9-11-4-6-22(7-5-11)14(23)15(16,17)18/h8,11H,3-7,9H2,1-2H3,(H,19,20,21).
What are the key properties of 1-[4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 330.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 133472278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).