6-ethyl-2-pyridin-2-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine

C18H22F3N5O2S — CID 133302262

IUPAC6-ethyl-2-pyridin-2-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine
SMILESCCc1cc(NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H22F3N5O2S/c1-2-14-11-16(25-17(24-14)15-5-3-4-8-22-15)23-12-13-6-9-26(10-7-13)29(27,28)18(19,20)21/h3-5,8,11,13H,2,6-7,9-10,12H2,1H3,(H,23,24,25)
InChIKeyTZMSQVNTRPKIHX-UHFFFAOYSA-N
MW429.47 g/mol
LogP3.07
Rot. Bonds6

About 6-ethyl-2-pyridin-2-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine

6-ethyl-2-pyridin-2-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine (PubChem CID 133302262) has the molecular formula C18H22F3N5O2S and a molecular weight of 429.47 g/mol. Its IUPAC name is 6-ethyl-2-pyridin-2-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-pyridin-2-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine
PubChem CID133302262
Molecular FormulaC18H22F3N5O2S
Molecular Weight429.47 g/mol
Exact Mass429.14
IUPAC Name6-ethyl-2-pyridin-2-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine
SMILESCCc1cc(NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H22F3N5O2S/c1-2-14-11-16(25-17(24-14)15-5-3-4-8-22-15)23-12-13-6-9-26(10-7-13)29(27,28)18(19,20)21/h3-5,8,11,13H,2,6-7,9-10,12H2,1H3,(H,23,24,25)
InChIKeyTZMSQVNTRPKIHX-UHFFFAOYSA-N
XLogP3.07
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-2-pyridin-2-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine with MolForge

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Related Compounds

N-(1-benzylsulfonylpiperidin-4-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 133306579
6-methyl-2-pyridin-3-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 133302283
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 99805928
6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 62191102
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133399512
N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133348579
N-(1-cyclopentylpyrrolidin-3-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 127299851
6-ethyl-2-(2-fluorophenyl)-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
CID 56768131
1-[4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 133472278
N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide
CID 133290845
6-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133459201
6-ethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133290389

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-pyridin-2-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-pyridin-2-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine (CID 133302262) is 6-ethyl-2-pyridin-2-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-pyridin-2-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-pyridin-2-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine is CCc1cc(NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)nc(-c2ccccn2)n1.
What is the InChIKey of 6-ethyl-2-pyridin-2-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine?
The InChIKey is TZMSQVNTRPKIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O2S/c1-2-14-11-16(25-17(24-14)15-5-3-4-8-22-15)23-12-13-6-9-26(10-7-13)29(27,28)18(19,20)21/h3-5,8,11,13H,2,6-7,9-10,12H2,1H3,(H,23,24,25).
What are the key properties of 6-ethyl-2-pyridin-2-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine?
6-ethyl-2-pyridin-2-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine has a molecular weight of 429.47 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-pyridin-2-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 133302262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).