4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine

C132H198ClF3N24O10S2 — CID 162134590

IUPAC4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
SMILESCC(=O)N1CC(Nc2cc(C(C)(C)C)ccn2)C1.CC(=O)N1CC(Nc2cc(C(C)(C)C)ncn2)C1.CC(C)(C)c1cc(CC2CN(CC(F)(F)F)C2)ncn1.CC(C)(C)c1cc(CC2CN(S(C)(=O)=O)C2)ncn1.CC(C)(C)c1cc(CC2CNC2)ncn1.CC(C)(C)c1cc2cccc(Cl)c2[nH]1.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccnc(CC2CN(S(C)(=O)=O)C2)c1.CN(CCOc1cccc(C(C)(C)C)c1)CC(N)=O.CN1CC(Cc2cc(C(C)(C)C)ncn2)C1
InChIInChI=1S/C15H24N2O2.C14H20F3N3.C14H21N3O.C14H22N2O2S.C13H20N4O.C13H21N3O2S.C13H21N3.C12H14ClN.C12H19N3.C12H16O2/c1-15(2,3)12-6-5-7-13(10-12)19-9-8-17(4)11-14(16)18;1-13(2,3)12-5-11(18-9-19-12)4-10-6-20(7-10)8-14(15,16)17;1-10(18)17-8-12(9-17)16-13-7-11(5-6-15-13)14(2,3)4;1-14(2,3)12-5-6-15-13(8-12)7-11-9-16(10-11)19(4,17)18;1-9(18)17-6-10(7-17)16-12-5-11(13(2,3)4)14-8-15-12;1-13(2,3)12-6-11(14-9-15-12)5-10-7-16(8-10)19(4,17)18;1-13(2,3)12-6-11(14-9-15-12)5-10-7-16(4)8-10;1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10;1-12(2,3)11-5-10(14-8-15-11)4-9-6-13-7-9;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10/h5-7,10H,8-9,11H2,1-4H3,(H2,16,18);5,9-10H,4,6-8H2,1-3H3;5-7,12H,8-9H2,1-4H3,(H,15,16);5-6,8,11H,7,9-10H2,1-4H3;5,8,10H,6-7H2,1-4H3,(H,14,15,16);6,9-10H,5,7-8H2,1-4H3;6,9-10H,5,7-8H2,1-4H3;4-7,14H,1-3H3;5,8-9,13H,4,6-7H2,1-3H3;4-5,8H,6-7H2,1-3H3
InChIKeyZJCJIRRCMDTWSH-UHFFFAOYSA-N
MW2437.77 g/mol
LogP21.34
Rot. Bonds23

About 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine

4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine (PubChem CID 162134590) has the molecular formula C132H198ClF3N24O10S2 and a molecular weight of 2437.77 g/mol. Its IUPAC name is 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine.

Molecular Properties

Compound Name4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
PubChem CID162134590
Molecular FormulaC132H198ClF3N24O10S2
Molecular Weight2437.77 g/mol
Exact Mass2435.48
IUPAC Name4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
SMILESCC(=O)N1CC(Nc2cc(C(C)(C)C)ccn2)C1.CC(=O)N1CC(Nc2cc(C(C)(C)C)ncn2)C1.CC(C)(C)c1cc(CC2CN(CC(F)(F)F)C2)ncn1.CC(C)(C)c1cc(CC2CN(S(C)(=O)=O)C2)ncn1.CC(C)(C)c1cc(CC2CNC2)ncn1.CC(C)(C)c1cc2cccc(Cl)c2[nH]1.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccnc(CC2CN(S(C)(=O)=O)C2)c1.CN(CCOc1cccc(C(C)(C)C)c1)CC(N)=O.CN1CC(Cc2cc(C(C)(C)C)ncn2)C1
InChIInChI=1S/C15H24N2O2.C14H20F3N3.C14H21N3O.C14H22N2O2S.C13H20N4O.C13H21N3O2S.C13H21N3.C12H14ClN.C12H19N3.C12H16O2/c1-15(2,3)12-6-5-7-13(10-12)19-9-8-17(4)11-14(16)18;1-13(2,3)12-5-11(18-9-19-12)4-10-6-20(7-10)8-14(15,16)17;1-10(18)17-8-12(9-17)16-13-7-11(5-6-15-13)14(2,3)4;1-14(2,3)12-5-6-15-13(8-12)7-11-9-16(10-11)19(4,17)18;1-9(18)17-6-10(7-17)16-12-5-11(13(2,3)4)14-8-15-12;1-13(2,3)12-6-11(14-9-15-12)5-10-7-16(8-10)19(4,17)18;1-13(2,3)12-6-11(14-9-15-12)5-10-7-16(4)8-10;1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10;1-12(2,3)11-5-10(14-8-15-11)4-9-6-13-7-9;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10/h5-7,10H,8-9,11H2,1-4H3,(H2,16,18);5,9-10H,4,6-8H2,1-3H3;5-7,12H,8-9H2,1-4H3,(H,15,16);5-6,8,11H,7,9-10H2,1-4H3;5,8,10H,6-7H2,1-4H3,(H,14,15,16);6,9-10H,5,7-8H2,1-4H3;6,9-10H,5,7-8H2,1-4H3;4-7,14H,1-3H3;5,8-9,13H,4,6-7H2,1-3H3;4-5,8H,6-7H2,1-3H3
InChIKeyZJCJIRRCMDTWSH-UHFFFAOYSA-N
XLogP21.34
TPSA402.44 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds23
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002437.77
LogP ≤ 521.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;1-tert-butylisoquinoline;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
CID 157326688
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine
CID 158174447
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;1-tert-butylisoquinoline;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
CID 158386084
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;methane;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine
CID 159448199
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzothiophene;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine
CID 160009331
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine
CID 160029599
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-7-chloro-1H-indole;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(1-methylsulfonylazetidin-3-yl)oxypyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine
CID 160380288
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;1-tert-butylisoquinoline;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
CID 161035737
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;1-tert-butylisoquinoline;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
CID 161288800

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine?
The IUPAC name of 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine (CID 162134590) is 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine.
What is the SMILES notation for 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine?
The canonical SMILES for 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine is CC(=O)N1CC(Nc2cc(C(C)(C)C)ccn2)C1.CC(=O)N1CC(Nc2cc(C(C)(C)C)ncn2)C1.CC(C)(C)c1cc(CC2CN(CC(F)(F)F)C2)ncn1.CC(C)(C)c1cc(CC2CN(S(C)(=O)=O)C2)ncn1.CC(C)(C)c1cc(CC2CNC2)ncn1.CC(C)(C)c1cc2cccc(Cl)c2[nH]1.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccnc(CC2CN(S(C)(=O)=O)C2)c1.CN(CCOc1cccc(C(C)(C)C)c1)CC(N)=O.CN1CC(Cc2cc(C(C)(C)C)ncn2)C1.
What is the InChIKey of 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine?
The InChIKey is ZJCJIRRCMDTWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.C14H20F3N3.C14H21N3O.C14H22N2O2S.C13H20N4O.C13H21N3O2S.C13H21N3.C12H14ClN.C12H19N3.C12H16O2/c1-15(2,3)12-6-5-7-13(10-12)19-9-8-17(4)11-14(16)18;1-13(2,3)12-5-11(18-9-19-12)4-10-6-20(7-10)8-14(15,16)17;1-10(18)17-8-12(9-17)16-13-7-11(5-6-15-13)14(2,3)4;1-14(2,3)12-5-6-15-13(8-12)7-11-9-16(10-11)19(4,17)18;1-9(18)17-6-10(7-17)16-12-5-11(13(2,3)4)14-8-15-12;1-13(2,3)12-6-11(14-9-15-12)5-10-7-16(8-10)19(4,17)18;1-13(2,3)12-6-11(14-9-15-12)5-10-7-16(4)8-10;1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10;1-12(2,3)11-5-10(14-8-15-11)4-9-6-13-7-9;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10/h5-7,10H,8-9,11H2,1-4H3,(H2,16,18);5,9-10H,4,6-8H2,1-3H3;5-7,12H,8-9H2,1-4H3,(H,15,16);5-6,8,11H,7,9-10H2,1-4H3;5,8,10H,6-7H2,1-4H3,(H,14,15,16);6,9-10H,5,7-8H2,1-4H3;6,9-10H,5,7-8H2,1-4H3;4-7,14H,1-3H3;5,8-9,13H,4,6-7H2,1-3H3;4-5,8H,6-7H2,1-3H3.
What are the key properties of 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine?
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine has a molecular weight of 2437.77 g/mol, XLogP of 21.34, 23 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine is sourced from PubChem (CID 162134590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).