N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

C18H20F3N5O2S — CID 133348579

IUPACN-(1-cyclopropylsulfonylpiperidin-4-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESO=S(=O)(C1CC1)N1CCC(Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC1
InChIInChI=1S/C18H20F3N5O2S/c19-18(20,21)15-11-16(25-17(24-15)14-3-1-2-8-22-14)23-12-6-9-26(10-7-12)29(27,28)13-4-5-13/h1-3,8,11-13H,4-7,9-10H2,(H,23,24,25)
InChIKeyXLBGJCIMFQJNFY-UHFFFAOYSA-N
MW427.45 g/mol
LogP2.93
Rot. Bonds5

About N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133348579) has the molecular formula C18H20F3N5O2S and a molecular weight of 427.45 g/mol. Its IUPAC name is N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-cyclopropylsulfonylpiperidin-4-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133348579
Molecular FormulaC18H20F3N5O2S
Molecular Weight427.45 g/mol
Exact Mass427.13
IUPAC NameN-(1-cyclopropylsulfonylpiperidin-4-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESO=S(=O)(C1CC1)N1CCC(Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC1
InChIInChI=1S/C18H20F3N5O2S/c19-18(20,21)15-11-16(25-17(24-15)14-3-1-2-8-22-14)23-12-6-9-26(10-7-12)29(27,28)13-4-5-13/h1-3,8,11-13H,4-7,9-10H2,(H,23,24,25)
InChIKeyXLBGJCIMFQJNFY-UHFFFAOYSA-N
XLogP2.93
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylsulfonylpiperidin-4-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 133306579
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133399512
N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475716
N-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 2730488
6-ethyl-2-pyridin-2-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 133302262
N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133311693
N-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 133306533
N-cyclopropyl-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 4107604
N-[2-(oxolan-3-yl)-1-phenylethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133413468
5-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1H-indazole-3-carboxamide
CID 146123273
N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 86900419
2-pyridin-2-yl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 95323276

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 133348579) is N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is O=S(=O)(C1CC1)N1CCC(Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC1.
What is the InChIKey of N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is XLBGJCIMFQJNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O2S/c19-18(20,21)15-11-16(25-17(24-15)14-3-1-2-8-22-14)23-12-6-9-26(10-7-12)29(27,28)13-4-5-13/h1-3,8,11-13H,4-7,9-10H2,(H,23,24,25).
What are the key properties of N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 427.45 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133348579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).