2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine

C224H355N51O10 — CID 158314564

IUPAC2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
SMILESCC(C)c1cccc(CN2CCCCC2)n1.CC(C)c1cccc(N2CCCC2)n1.CC(C)c1ccccn1.CC(C)c1cccnn1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccnc(CN2CCC2)n1.CC(C)c1ccnc(CN2CCCCC2)n1.CC(C)c1ccnn1C.CC(C)c1ccno1.CC(C)c1cnc[nH]1.CC(C)c1cncc(CN2CCC2)n1.CC(C)c1cncc(CN2CCCCC2)n1.CC(C)c1cncc(N2CCOCC2)n1.CC(C)c1cncn1C.CC(C)c1cnco1.CC(C)c1cnn(C)c1.CC(C)c1cocn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1ncco1.CCC(O)COc1cccc(C(C)C)n1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)no1.Cc1ncoc1C(C)C.Cc1nnc(C(C)C)o1
InChIInChI=1S/C14H22N2.2C13H21N3.C12H18N2.C12H19NO2.C11H17N3O.2C11H17N3.C8H14N2.C8H11N.5C7H12N2.2C7H10N2.2C7H11NO.C6H10N2O.3C6H10N2.4C6H9NO/c1-12(2)14-8-6-7-13(15-14)11-16-9-4-3-5-10-16;1-11(2)12-6-7-14-13(15-12)10-16-8-4-3-5-9-16;1-11(2)13-9-14-8-12(15-13)10-16-6-4-3-5-7-16;1-10(2)11-6-5-7-12(13-11)14-8-3-4-9-14;1-4-10(14)8-15-12-7-5-6-11(13-12)9(2)3;1-9(2)10-7-12-8-11(13-10)14-3-5-15-6-4-14;1-9(2)10-4-5-12-11(13-10)8-14-6-3-7-14;1-9(2)11-7-12-6-10(13-11)8-14-4-3-5-14;1-6(2)8-5-7(3)9-10(8)4;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-5-9(7)3;1-6(2)7-4-8-9(3)5-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)7-6(3)8-4-9-7;1-5(2)7-4-6(3)9-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6/h6-8,12H,3-5,9-11H2,1-2H3;6-7,11H,3-5,8-10H2,1-2H3;8-9,11H,3-7,10H2,1-2H3;5-7,10H,3-4,8-9H2,1-2H3;5-7,9-10,14H,4,8H2,1-3H3;7-9H,3-6H2,1-2H3;4-5,9H,3,6-8H2,1-2H3;6-7,9H,3-5,8H2,1-2H3;5-6H,1-4H3;3-7H,1-2H3;5*4-6H,1-3H3;2*3-6H,1-2H3;2*4-5H,1-3H3;4H,1-3H3;3*3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3
InChIKeyGOCHKGHWNUZQTC-UHFFFAOYSA-N
MW3922.65 g/mol
LogP51.05
Rot. Bonds43

About 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine

2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine (PubChem CID 158314564) has the molecular formula C224H355N51O10 and a molecular weight of 3922.65 g/mol. Its IUPAC name is 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
PubChem CID158314564
Molecular FormulaC224H355N51O10
Molecular Weight3922.65 g/mol
Exact Mass3919.88
IUPAC Name2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
SMILESCC(C)c1cccc(CN2CCCCC2)n1.CC(C)c1cccc(N2CCCC2)n1.CC(C)c1ccccn1.CC(C)c1cccnn1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccnc(CN2CCC2)n1.CC(C)c1ccnc(CN2CCCCC2)n1.CC(C)c1ccnn1C.CC(C)c1ccno1.CC(C)c1cnc[nH]1.CC(C)c1cncc(CN2CCC2)n1.CC(C)c1cncc(CN2CCCCC2)n1.CC(C)c1cncc(N2CCOCC2)n1.CC(C)c1cncn1C.CC(C)c1cnco1.CC(C)c1cnn(C)c1.CC(C)c1cocn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1ncco1.CCC(O)COc1cccc(C(C)C)n1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)no1.Cc1ncoc1C(C)C.Cc1nnc(C(C)C)o1
InChIInChI=1S/C14H22N2.2C13H21N3.C12H18N2.C12H19NO2.C11H17N3O.2C11H17N3.C8H14N2.C8H11N.5C7H12N2.2C7H10N2.2C7H11NO.C6H10N2O.3C6H10N2.4C6H9NO/c1-12(2)14-8-6-7-13(15-14)11-16-9-4-3-5-10-16;1-11(2)12-6-7-14-13(15-12)10-16-8-4-3-5-9-16;1-11(2)13-9-14-8-12(15-13)10-16-6-4-3-5-7-16;1-10(2)11-6-5-7-12(13-11)14-8-3-4-9-14;1-4-10(14)8-15-12-7-5-6-11(13-12)9(2)3;1-9(2)10-7-12-8-11(13-10)14-3-5-15-6-4-14;1-9(2)10-4-5-12-11(13-10)8-14-6-3-7-14;1-9(2)11-7-12-6-10(13-11)8-14-4-3-5-14;1-6(2)8-5-7(3)9-10(8)4;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-5-9(7)3;1-6(2)7-4-8-9(3)5-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)7-6(3)8-4-9-7;1-5(2)7-4-6(3)9-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6/h6-8,12H,3-5,9-11H2,1-2H3;6-7,11H,3-5,8-10H2,1-2H3;8-9,11H,3-7,10H2,1-2H3;5-7,10H,3-4,8-9H2,1-2H3;5-7,9-10,14H,4,8H2,1-3H3;7-9H,3-6H2,1-2H3;4-5,9H,3,6-8H2,1-2H3;6-7,9H,3-5,8H2,1-2H3;5-6H,1-4H3;3-7H,1-2H3;5*4-6H,1-3H3;2*3-6H,1-2H3;2*4-5H,1-3H3;4H,1-3H3;3*3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3
InChIKeyGOCHKGHWNUZQTC-UHFFFAOYSA-N
XLogP51.05
TPSA681.45 Ų
H-Bond Donors4
H-Bond Acceptors58
Rotatable Bonds43
Heavy Atoms285
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003922.65
LogP ≤ 551.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1058

Analyze 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine?
The IUPAC name of 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine (CID 158314564) is 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine?
The canonical SMILES for 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine is CC(C)c1cccc(CN2CCCCC2)n1.CC(C)c1cccc(N2CCCC2)n1.CC(C)c1ccccn1.CC(C)c1cccnn1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccnc(CN2CCC2)n1.CC(C)c1ccnc(CN2CCCCC2)n1.CC(C)c1ccnn1C.CC(C)c1ccno1.CC(C)c1cnc[nH]1.CC(C)c1cncc(CN2CCC2)n1.CC(C)c1cncc(CN2CCCCC2)n1.CC(C)c1cncc(N2CCOCC2)n1.CC(C)c1cncn1C.CC(C)c1cnco1.CC(C)c1cnn(C)c1.CC(C)c1cocn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1ncco1.CCC(O)COc1cccc(C(C)C)n1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)no1.Cc1ncoc1C(C)C.Cc1nnc(C(C)C)o1.
What is the InChIKey of 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine?
The InChIKey is GOCHKGHWNUZQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.2C13H21N3.C12H18N2.C12H19NO2.C11H17N3O.2C11H17N3.C8H14N2.C8H11N.5C7H12N2.2C7H10N2.2C7H11NO.C6H10N2O.3C6H10N2.4C6H9NO/c1-12(2)14-8-6-7-13(15-14)11-16-9-4-3-5-10-16;1-11(2)12-6-7-14-13(15-12)10-16-8-4-3-5-9-16;1-11(2)13-9-14-8-12(15-13)10-16-6-4-3-5-7-16;1-10(2)11-6-5-7-12(13-11)14-8-3-4-9-14;1-4-10(14)8-15-12-7-5-6-11(13-12)9(2)3;1-9(2)10-7-12-8-11(13-10)14-3-5-15-6-4-14;1-9(2)10-4-5-12-11(13-10)8-14-6-3-7-14;1-9(2)11-7-12-6-10(13-11)8-14-4-3-5-14;1-6(2)8-5-7(3)9-10(8)4;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-5-9(7)3;1-6(2)7-4-8-9(3)5-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)7-6(3)8-4-9-7;1-5(2)7-4-6(3)9-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6/h6-8,12H,3-5,9-11H2,1-2H3;6-7,11H,3-5,8-10H2,1-2H3;8-9,11H,3-7,10H2,1-2H3;5-7,10H,3-4,8-9H2,1-2H3;5-7,9-10,14H,4,8H2,1-3H3;7-9H,3-6H2,1-2H3;4-5,9H,3,6-8H2,1-2H3;6-7,9H,3-5,8H2,1-2H3;5-6H,1-4H3;3-7H,1-2H3;5*4-6H,1-3H3;2*3-6H,1-2H3;2*4-5H,1-3H3;4H,1-3H3;3*3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3.
What are the key properties of 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine?
2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine has a molecular weight of 3922.65 g/mol, XLogP of 51.05, 43 rotatable bonds, 4 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 158314564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).