6-methyl-2-pyridin-3-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine

C17H20F3N5O2S — CID 133302283

IUPAC6-methyl-2-pyridin-3-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine
SMILESCc1cc(NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C17H20F3N5O2S/c1-12-9-15(24-16(23-12)14-3-2-6-21-11-14)22-10-13-4-7-25(8-5-13)28(26,27)17(18,19)20/h2-3,6,9,11,13H,4-5,7-8,10H2,1H3,(H,22,23,24)
InChIKeyAINRMZQRCSUJPN-UHFFFAOYSA-N
MW415.44 g/mol
LogP2.82
Rot. Bonds5

About 6-methyl-2-pyridin-3-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine

6-methyl-2-pyridin-3-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine (PubChem CID 133302283) has the molecular formula C17H20F3N5O2S and a molecular weight of 415.44 g/mol. Its IUPAC name is 6-methyl-2-pyridin-3-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-pyridin-3-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine
PubChem CID133302283
Molecular FormulaC17H20F3N5O2S
Molecular Weight415.44 g/mol
Exact Mass415.13
IUPAC Name6-methyl-2-pyridin-3-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine
SMILESCc1cc(NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C17H20F3N5O2S/c1-12-9-15(24-16(23-12)14-3-2-6-21-11-14)22-10-13-4-7-25(8-5-13)28(26,27)17(18,19)20/h2-3,6,9,11,13H,4-5,7-8,10H2,1H3,(H,22,23,24)
InChIKeyAINRMZQRCSUJPN-UHFFFAOYSA-N
XLogP2.82
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-2-pyridin-2-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 133302262
N-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133306515
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133279755
2-cyclopropyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
CID 133367313
N,N-dimethyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanesulfonamide
CID 50982961
2,2,2-trifluoro-1-[4-[[[6-methyl-2-(3-nitrophenyl)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone
CID 133346925
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanone
CID 133273214
6-methyl-N-piperidin-4-yl-2-pyridin-3-ylpyrimidin-4-amine
CID 94075322
4-[4-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine;formic acid
CID 155940183
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 50976714
(4S)-1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 95138091

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pyridin-3-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-pyridin-3-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine (CID 133302283) is 6-methyl-2-pyridin-3-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-pyridin-3-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-pyridin-3-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine is Cc1cc(NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)nc(-c2cccnc2)n1.
What is the InChIKey of 6-methyl-2-pyridin-3-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine?
The InChIKey is AINRMZQRCSUJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2S/c1-12-9-15(24-16(23-12)14-3-2-6-21-11-14)22-10-13-4-7-25(8-5-13)28(26,27)17(18,19)20/h2-3,6,9,11,13H,4-5,7-8,10H2,1H3,(H,22,23,24).
What are the key properties of 6-methyl-2-pyridin-3-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine?
6-methyl-2-pyridin-3-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine has a molecular weight of 415.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pyridin-3-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 133302283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).