5-(1,1-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrimidine;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-methyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-propylpyrimidine

C104H165F4N25O4 — CID 158064664

IUPAC5-(1,1-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrimidine;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-methyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-propylpyrimidine
SMILESCC(C)c1cc(C2CCN(C)CC2)on1.CC(C)c1coc(C2CCN(C)CC2)n1.CC(C)c1noc(C2CCN(C)CC2)n1.CCCc1cnc(C2CCN(C)CC2)nc1.CCc1cnc(C2CCN(C)CC2)cn1.CCc1cnc(C2CCN(C)CC2)nc1.CN1CCC(c2nc(C(F)F)no2)CC1.CN1CCC(c2ncc(C(C)(F)F)cn2)CC1.Cc1cnc(C2CCN(C)CC2)nc1
InChIInChI=1S/C13H21N3.C12H17F2N3.2C12H19N3.2C12H20N2O.C11H19N3O.C11H17N3.C9H13F2N3O/c1-3-4-11-9-14-13(15-10-11)12-5-7-16(2)8-6-12;1-12(13,14)10-7-15-11(16-8-10)9-3-5-17(2)6-4-9;1-3-11-8-14-12(9-13-11)10-4-6-15(2)7-5-10;1-3-10-8-13-12(14-9-10)11-4-6-15(2)7-5-11;1-9(2)11-8-15-12(13-11)10-4-6-14(3)7-5-10;1-9(2)11-8-12(15-13-11)10-4-6-14(3)7-5-10;1-8(2)10-12-11(15-13-10)9-4-6-14(3)7-5-9;1-9-7-12-11(13-8-9)10-3-5-14(2)6-4-10;1-14-4-2-6(3-5-14)9-12-8(7(10)11)13-15-9/h9-10,12H,3-8H2,1-2H3;7-9H,3-6H2,1-2H3;8-10H,3-7H2,1-2H3;8-9,11H,3-7H2,1-2H3;2*8-10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;6-7H,2-5H2,1H3
InChIKeyFLBOPEQXOZAIFB-UHFFFAOYSA-N
MW1905.63 g/mol
LogP18.96
Rot. Bonds18

About 5-(1,1-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrimidine;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-methyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-propylpyrimidine

5-(1,1-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrimidine;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-methyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-propylpyrimidine (PubChem CID 158064664) has the molecular formula C104H165F4N25O4 and a molecular weight of 1905.63 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrimidine;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-methyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-propylpyrimidine.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrimidine;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-methyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-propylpyrimidine
PubChem CID158064664
Molecular FormulaC104H165F4N25O4
Molecular Weight1905.63 g/mol
Exact Mass1904.34
IUPAC Name5-(1,1-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrimidine;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-methyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-propylpyrimidine
SMILESCC(C)c1cc(C2CCN(C)CC2)on1.CC(C)c1coc(C2CCN(C)CC2)n1.CC(C)c1noc(C2CCN(C)CC2)n1.CCCc1cnc(C2CCN(C)CC2)nc1.CCc1cnc(C2CCN(C)CC2)cn1.CCc1cnc(C2CCN(C)CC2)nc1.CN1CCC(c2nc(C(F)F)no2)CC1.CN1CCC(c2ncc(C(C)(F)F)cn2)CC1.Cc1cnc(C2CCN(C)CC2)nc1
InChIInChI=1S/C13H21N3.C12H17F2N3.2C12H19N3.2C12H20N2O.C11H19N3O.C11H17N3.C9H13F2N3O/c1-3-4-11-9-14-13(15-10-11)12-5-7-16(2)8-6-12;1-12(13,14)10-7-15-11(16-8-10)9-3-5-17(2)6-4-9;1-3-11-8-14-12(9-13-11)10-4-6-15(2)7-5-10;1-3-10-8-13-12(14-9-10)11-4-6-15(2)7-5-11;1-9(2)11-8-15-12(13-11)10-4-6-14(3)7-5-10;1-9(2)11-8-12(15-13-11)10-4-6-14(3)7-5-10;1-8(2)10-12-11(15-13-10)9-4-6-14(3)7-5-9;1-9-7-12-11(13-8-9)10-3-5-14(2)6-4-10;1-14-4-2-6(3-5-14)9-12-8(7(10)11)13-15-9/h9-10,12H,3-8H2,1-2H3;7-9H,3-6H2,1-2H3;8-10H,3-7H2,1-2H3;8-9,11H,3-7H2,1-2H3;2*8-10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;6-7H,2-5H2,1H3
InChIKeyFLBOPEQXOZAIFB-UHFFFAOYSA-N
XLogP18.96
TPSA287.96 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds18
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001905.63
LogP ≤ 518.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 5-(1,1-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrimidine;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-methyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-propylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrimidine;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-methyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-propylpyrimidine?
The IUPAC name of 5-(1,1-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrimidine;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-methyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-propylpyrimidine (CID 158064664) is 5-(1,1-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrimidine;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-methyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-propylpyrimidine.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrimidine;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-methyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-propylpyrimidine?
The canonical SMILES for 5-(1,1-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrimidine;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-methyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-propylpyrimidine is CC(C)c1cc(C2CCN(C)CC2)on1.CC(C)c1coc(C2CCN(C)CC2)n1.CC(C)c1noc(C2CCN(C)CC2)n1.CCCc1cnc(C2CCN(C)CC2)nc1.CCc1cnc(C2CCN(C)CC2)cn1.CCc1cnc(C2CCN(C)CC2)nc1.CN1CCC(c2nc(C(F)F)no2)CC1.CN1CCC(c2ncc(C(C)(F)F)cn2)CC1.Cc1cnc(C2CCN(C)CC2)nc1.
What is the InChIKey of 5-(1,1-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrimidine;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-methyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-propylpyrimidine?
The InChIKey is FLBOPEQXOZAIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.C12H17F2N3.2C12H19N3.2C12H20N2O.C11H19N3O.C11H17N3.C9H13F2N3O/c1-3-4-11-9-14-13(15-10-11)12-5-7-16(2)8-6-12;1-12(13,14)10-7-15-11(16-8-10)9-3-5-17(2)6-4-9;1-3-11-8-14-12(9-13-11)10-4-6-15(2)7-5-10;1-3-10-8-13-12(14-9-10)11-4-6-15(2)7-5-11;1-9(2)11-8-15-12(13-11)10-4-6-14(3)7-5-10;1-9(2)11-8-12(15-13-11)10-4-6-14(3)7-5-10;1-8(2)10-12-11(15-13-10)9-4-6-14(3)7-5-9;1-9-7-12-11(13-8-9)10-3-5-14(2)6-4-10;1-14-4-2-6(3-5-14)9-12-8(7(10)11)13-15-9/h9-10,12H,3-8H2,1-2H3;7-9H,3-6H2,1-2H3;8-10H,3-7H2,1-2H3;8-9,11H,3-7H2,1-2H3;2*8-10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;6-7H,2-5H2,1H3.
What are the key properties of 5-(1,1-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrimidine;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-methyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-propylpyrimidine?
5-(1,1-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrimidine;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-methyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-propylpyrimidine has a molecular weight of 1905.63 g/mol, XLogP of 18.96, 18 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrimidine;3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-methyl-2-(1-methylpiperidin-4-yl)pyrimidine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-propylpyrimidine is sourced from PubChem (CID 158064664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).