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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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).