2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-1-propan-2-ylcyclohexane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-ylpyrimidine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;propan-2-ylcyclopentane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine;bis(5-propan-2-yl-1H-1,2,4-triazole)

C199H344N44O6 — CID 157477533

IUPAC2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-1-propan-2-ylcyclohexane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-ylpyrimidine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;propan-2-ylcyclopentane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine;bis(5-propan-2-yl-1H-1,2,4-triazole)
SMILESC.C.C.C.C.C.C.C.CC(C)C1(C)CCCCC1.CC(C)C1CCCC1.CC(C)c1ccc[nH]1.CC(C)c1cccnn1.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccnc(CN2CCC2)n1.CC(C)c1ccnc(CN2CCCC2)n1.CC(C)c1ccnc(CN2CCCCC2)n1.CC(C)c1ccnn1C.CC(C)c1cncc(CN2CCC2)n1.CC(C)c1cncc(CN2CCCCC2)n1.CC(C)c1cnco1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1ncn[nH]1.CC(C)c1ncn[nH]1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)no1.Cc1ccnc(C(C)C)n1.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)c1C
InChIInChI=1S/2C13H21N3.C12H19N3.2C11H17N3.C10H20.C8H14N2.C8H12N2.C8H13NO.C8H16.2C7H12N2.2C7H10N2.C7H11NO.C7H11N.C7H10O.C6H10N2O.2C6H10N2.2C6H9NO.2C5H9N3.8CH4/c1-11(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)11-5-6-13-12(14-11)9-15-7-3-4-8-15;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;1-9(2)10(3)7-5-4-6-8-10;1-6(2)8-5-7(3)9-10(8)4;1-6(2)8-9-5-4-7(3)10-8;1-5(2)8-6(3)7(4)9-10-8;1-7(2)8-5-3-4-6-8;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)7-4-6(3)9-8-7;2*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;2*1-4(2)5-6-3-7-8-5;;;;;;;;/h6-7,11H,3-5,8-10H2,1-2H3;8-9,11H,3-7,10H2,1-2H3;5-6,10H,3-4,7-9H2,1-2H3;4-5,9H,3,6-8H2,1-2H3;6-7,9H,3-5,8H2,1-2H3;9H,4-8H2,1-3H3;5-6H,1-4H3;4-6H,1-3H3;5H,1-4H3;7-8H,3-6H2,1-2H3;2*4-6H,1-3H3;2*3-6H,1-2H3;4-5H,1-3H3;3-6,8H,1-2H3;3-6H,1-2H3;4H,1-3H3;2*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;2*3-4H,1-2H3,(H,6,7,8);8*1H4
InChIKeyBVTRRTNPQBTGNN-UHFFFAOYSA-N
MW3449.24 g/mol
LogP51.64
Rot. Bonds34

About 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-1-propan-2-ylcyclohexane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-ylpyrimidine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;propan-2-ylcyclopentane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine;bis(5-propan-2-yl-1H-1,2,4-triazole)

2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-1-propan-2-ylcyclohexane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-ylpyrimidine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;propan-2-ylcyclopentane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine;bis(5-propan-2-yl-1H-1,2,4-triazole) (PubChem CID 157477533) has the molecular formula C199H344N44O6 and a molecular weight of 3449.24 g/mol. Its IUPAC name is 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-1-propan-2-ylcyclohexane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-ylpyrimidine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;propan-2-ylcyclopentane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine;bis(5-propan-2-yl-1H-1,2,4-triazole).

Molecular Properties

Compound Name2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-1-propan-2-ylcyclohexane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-ylpyrimidine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;propan-2-ylcyclopentane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine;bis(5-propan-2-yl-1H-1,2,4-triazole)
PubChem CID157477533
Molecular FormulaC199H344N44O6
Molecular Weight3449.24 g/mol
Exact Mass3446.80
IUPAC Name2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-1-propan-2-ylcyclohexane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-ylpyrimidine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;propan-2-ylcyclopentane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine;bis(5-propan-2-yl-1H-1,2,4-triazole)
SMILESC.C.C.C.C.C.C.C.CC(C)C1(C)CCCCC1.CC(C)C1CCCC1.CC(C)c1ccc[nH]1.CC(C)c1cccnn1.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccnc(CN2CCC2)n1.CC(C)c1ccnc(CN2CCCC2)n1.CC(C)c1ccnc(CN2CCCCC2)n1.CC(C)c1ccnn1C.CC(C)c1cncc(CN2CCC2)n1.CC(C)c1cncc(CN2CCCCC2)n1.CC(C)c1cnco1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1ncn[nH]1.CC(C)c1ncn[nH]1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)no1.Cc1ccnc(C(C)C)n1.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)c1C
InChIInChI=1S/2C13H21N3.C12H19N3.2C11H17N3.C10H20.C8H14N2.C8H12N2.C8H13NO.C8H16.2C7H12N2.2C7H10N2.C7H11NO.C7H11N.C7H10O.C6H10N2O.2C6H10N2.2C6H9NO.2C5H9N3.8CH4/c1-11(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)11-5-6-13-12(14-11)9-15-7-3-4-8-15;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;1-9(2)10(3)7-5-4-6-8-10;1-6(2)8-5-7(3)9-10(8)4;1-6(2)8-9-5-4-7(3)10-8;1-5(2)8-6(3)7(4)9-10-8;1-7(2)8-5-3-4-6-8;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)7-4-6(3)9-8-7;2*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;2*1-4(2)5-6-3-7-8-5;;;;;;;;/h6-7,11H,3-5,8-10H2,1-2H3;8-9,11H,3-7,10H2,1-2H3;5-6,10H,3-4,7-9H2,1-2H3;4-5,9H,3,6-8H2,1-2H3;6-7,9H,3-5,8H2,1-2H3;9H,4-8H2,1-3H3;5-6H,1-4H3;4-6H,1-3H3;5H,1-4H3;7-8H,3-6H2,1-2H3;2*4-6H,1-3H3;2*3-6H,1-2H3;4-5H,1-3H3;3-6,8H,1-2H3;3-6H,1-2H3;4H,1-3H3;2*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;2*3-4H,1-2H3,(H,6,7,8);8*1H4
InChIKeyBVTRRTNPQBTGNN-UHFFFAOYSA-N
XLogP51.64
TPSA588.37 Ų
H-Bond Donors5
H-Bond Acceptors45
Rotatable Bonds34
Heavy Atoms249
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003449.24
LogP ≤ 551.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1045

Analyze 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-1-propan-2-ylcyclohexane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-ylpyrimidine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;propan-2-ylcyclopentane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine;bis(5-propan-2-yl-1H-1,2,4-triazole) with MolForge

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Related Compounds

2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;1,2-dimethoxy-4-propan-2-ylbenzene;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropane-1,2-diol;1-methyl-2-propan-2-ylpyrrole;bis(2-propan-2-ylfuran);bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinoxaline;5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 157062526
1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one;tert-butyl 3-tert-butylazetidine-1-carboxylate;1-(3,3-difluoroazetidin-1-yl)-3,3-dimethylbutan-1-one;1-(4,4-difluoropiperidin-1-yl)-3,3-dimethylbutan-1-one;4-(3,3-dimethylbutyl)-3,5-dimethyl-1H-pyrazole;2-(3,3-dimethylbutyl)-1-methylimidazole;5-(3,3-dimethylbutyl)-3-methyl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;3-(2,2-dimethylpropyl)-4-methylfuran;4-(2,2-dimethylpropyl)piperazin-2-one;1-(2,2-dimethylpropyl)pyrimidine-2,4-dione;1-(2,2-dimethylpropyl)pyrrolidin-2-one;1,4-di(propan-2-yl)pyrrolidin-2-one;1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one;2-methyl-1-(2-methylpropyl)imidazole;1-methyl-4-propan-2-ylpyrrolidin-2-one
CID 157143525
5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-(difluoromethyl)-4-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)-2-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)pyrimidine;1-tert-butyl-2,4-dimethylimidazole;1-tert-butyl-4,5-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-4,6-dimethylpyridazine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-2,5-dimethyl-1H-1,2,4-triazol-2-ium;5-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)-3,5-dimethylpyrazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-1-propan-2-ylpyrazole;1-(5-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;5-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;N,2,2-trimethyl-N-(oxan-4-yl)propanamide
CID 158429616
Tert-butylbenzene;tert-butylcyclobutane;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;3-tert-butyloxolane;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butyl-5-(trifluoromethyl)furan;bis(propan-2-ylcyclopropane);2-propan-2-yloxane;2-propan-2-yloxetane
CID 160685128
1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one;tert-butyl 3-tert-butylazetidine-1-carboxylate;tert-butyl 3,3-difluoroazetidine-1-carboxylate;tert-butyl 3-fluoroazetidine-1-carboxylate;1-(4,4-difluoropiperidin-1-yl)-3,3-dimethylbutan-1-one;4-(3,3-dimethylbutyl)-3,5-dimethyl-1H-pyrazole;2-(3,3-dimethylbutyl)-1-methylimidazole;5-(3,3-dimethylbutyl)-3-methyl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)-2-propan-2-ylimidazole;1-(3,3-dimethylbutyl)pyrazole;3-(2,2-dimethylpropyl)-4-methylfuran;4-(2,2-dimethylpropyl)piperazin-2-one;1-(2,2-dimethylpropyl)pyrimidine-2,4-dione;1-(2,2-dimethylpropyl)pyrrolidin-2-one;1,4-di(propan-2-yl)pyrrolidin-2-one;methane;2-methyl-1-(2-methylpropyl)imidazole;1-methyl-4-propan-2-ylpyrrolidin-2-one
CID 160907585
2,2-Dimethylpropylbenzene;2,2-dimethylpropylcyclobutane;bis(2,2-dimethylpropylcyclopropane);5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)oxetane;3-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-5-(trifluoromethyl)furan
CID 161024068
4-tert-butyl-2,6-dimethoxypyridine;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;2-tert-butyl-6-[(4-methylpiperazin-1-yl)methyl]pyrazine;5-tert-butyl-4-methylpyridin-2-amine;2-tert-butyl-6-piperidin-4-yloxypyrazine;5-tert-butyl-N-(1H-pyrazol-4-yl)pyridine-2-carboxamide;4-[(2-tert-butyl-4-pyridinyl)methyl]morpholine;1-(5-tert-butyl-2-pyridinyl)piperazine;N-(5-tert-butylpyrimidin-2-yl)benzamide;(6-tert-butylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone;5-tert-butyl-2-pyrrolidin-1-ylpyridine;5-tert-butyl-2-pyrrolidin-3-ylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 161497885
(3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone;3-tert-butyl-5-methyl-N-piperidin-4-yl-1,2-oxazole-4-carboxamide;(5-tert-butyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;5-tert-butyl-3-phenyl-1,2-oxazole;4-tert-butyl-3-(piperazin-1-ylmethyl)-1,2-oxazol-5-amine;4-tert-butyl-3-(piperazin-1-ylmethyl)-1,2-oxazole;5-tert-butyl-2-(piperazin-1-ylmethyl)-1,3-oxazole;2-tert-butyl-5-piperazin-1-yl-1,3-oxazole;5-tert-butyl-3-(2-piperidin-4-ylethyl)-1,2-oxazole;2-tert-butyl-N-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide;5-tert-butyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 161789358
2-[3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-7-pyridazin-3-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-7H-1,8-naphthyridin-2-yl]-1,3-oxazole
CID 141195754
3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157105191
2-(Azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyridine;4-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;5-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;methane;5-methyl-3-propan-2-yl-1,2-oxazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;bis(2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine);2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine
CID 157172849
cumene;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157180754

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;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-1-propan-2-ylcyclohexane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-ylpyrimidine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;propan-2-ylcyclopentane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine;bis(5-propan-2-yl-1H-1,2,4-triazole)?
The IUPAC name of 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-1-propan-2-ylcyclohexane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-ylpyrimidine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;propan-2-ylcyclopentane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine;bis(5-propan-2-yl-1H-1,2,4-triazole) (CID 157477533) is 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-1-propan-2-ylcyclohexane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-ylpyrimidine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;propan-2-ylcyclopentane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine;bis(5-propan-2-yl-1H-1,2,4-triazole).
What is the SMILES notation for 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-1-propan-2-ylcyclohexane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-ylpyrimidine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;propan-2-ylcyclopentane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine;bis(5-propan-2-yl-1H-1,2,4-triazole)?
The canonical SMILES for 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-1-propan-2-ylcyclohexane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-ylpyrimidine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;propan-2-ylcyclopentane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine;bis(5-propan-2-yl-1H-1,2,4-triazole) is C.C.C.C.C.C.C.C.CC(C)C1(C)CCCCC1.CC(C)C1CCCC1.CC(C)c1ccc[nH]1.CC(C)c1cccnn1.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccnc(CN2CCC2)n1.CC(C)c1ccnc(CN2CCCC2)n1.CC(C)c1ccnc(CN2CCCCC2)n1.CC(C)c1ccnn1C.CC(C)c1cncc(CN2CCC2)n1.CC(C)c1cncc(CN2CCCCC2)n1.CC(C)c1cnco1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1ncn[nH]1.CC(C)c1ncn[nH]1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)no1.Cc1ccnc(C(C)C)n1.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)c1C.
What is the InChIKey of 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-1-propan-2-ylcyclohexane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-ylpyrimidine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;propan-2-ylcyclopentane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine;bis(5-propan-2-yl-1H-1,2,4-triazole)?
The InChIKey is BVTRRTNPQBTGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H21N3.C12H19N3.2C11H17N3.C10H20.C8H14N2.C8H12N2.C8H13NO.C8H16.2C7H12N2.2C7H10N2.C7H11NO.C7H11N.C7H10O.C6H10N2O.2C6H10N2.2C6H9NO.2C5H9N3.8CH4/c1-11(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)11-5-6-13-12(14-11)9-15-7-3-4-8-15;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;1-9(2)10(3)7-5-4-6-8-10;1-6(2)8-5-7(3)9-10(8)4;1-6(2)8-9-5-4-7(3)10-8;1-5(2)8-6(3)7(4)9-10-8;1-7(2)8-5-3-4-6-8;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)7-4-6(3)9-8-7;2*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;2*1-4(2)5-6-3-7-8-5;;;;;;;;/h6-7,11H,3-5,8-10H2,1-2H3;8-9,11H,3-7,10H2,1-2H3;5-6,10H,3-4,7-9H2,1-2H3;4-5,9H,3,6-8H2,1-2H3;6-7,9H,3-5,8H2,1-2H3;9H,4-8H2,1-3H3;5-6H,1-4H3;4-6H,1-3H3;5H,1-4H3;7-8H,3-6H2,1-2H3;2*4-6H,1-3H3;2*3-6H,1-2H3;4-5H,1-3H3;3-6,8H,1-2H3;3-6H,1-2H3;4H,1-3H3;2*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;2*3-4H,1-2H3,(H,6,7,8);8*1H4.
What are the key properties of 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-1-propan-2-ylcyclohexane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-ylpyrimidine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;propan-2-ylcyclopentane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine;bis(5-propan-2-yl-1H-1,2,4-triazole)?
2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-1-propan-2-ylcyclohexane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-ylpyrimidine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;propan-2-ylcyclopentane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine;bis(5-propan-2-yl-1H-1,2,4-triazole) has a molecular weight of 3449.24 g/mol, XLogP of 51.64, 34 rotatable bonds, 5 hydrogen bond donors, and 45 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;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-1-propan-2-ylcyclohexane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-ylpyrimidine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;propan-2-ylcyclopentane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine;bis(5-propan-2-yl-1H-1,2,4-triazole) is sourced from PubChem (CID 157477533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).