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;1-methyl-2-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;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-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;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine

C229H349N49O7 — CID 158673998

IUPAC2-(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;1-methyl-2-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;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-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;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine
SMILESCC(C)c1cc(CN2CCC2)ccn1.CC(C)c1ccc(CN2CCC2)cn1.CC(C)c1ccc(CN2CCCC2)cn1.CC(C)c1cccc(CN2CCCC2)n1.CC(C)c1cccc(N2CCC2)n1.CC(C)c1cccnn1.CC(C)c1ccnc(CN2CCC2)c1.CC(C)c1ccnc(CN2CCC2)n1.CC(C)c1ccnc(CN2CCCCC2)n1.CC(C)c1ccnc(N2CCC2)c1.CC(C)c1ccncn1.CC(C)c1ccno1.CC(C)c1cncc(CN2CCC2)n1.CC(C)c1cncc(CN2CCCCC2)n1.CC(C)c1cncc(N2CCOCC2)n1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1ncco1.Cc1cc(C(C)C)no1.Cc1ncoc1C(C)C
InChIInChI=1S/2C13H21N3.2C13H20N2.3C12H18N2.C11H17N3O.2C11H17N3.2C11H16N2.C7H10N2.C7H12N2.4C7H10N2.2C7H11NO.C6H10N2.4C6H9NO/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;1-11(2)13-7-5-6-12(14-13)10-15-8-3-4-9-15;1-11(2)13-6-5-12(9-14-13)10-15-7-3-4-8-15;1-10(2)11-4-5-13-12(8-11)9-14-6-3-7-14;1-10(2)12-8-11(4-5-13-12)9-14-6-3-7-14;1-10(2)12-5-4-11(8-13-12)9-14-6-3-7-14;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;1-9(2)10-4-5-12-11(8-10)13-6-3-7-13;1-9(2)10-5-3-6-11(12-10)13-7-4-8-13;1-6(2)7-3-8-5-9-4-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;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;1-5(2)6-7-3-4-8-6;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/h6-7,11H,3-5,8-10H2,1-2H3;8-9,11H,3-7,10H2,1-2H3;5-7,11H,3-4,8-10H2,1-2H3;5-6,9,11H,3-4,7-8,10H2,1-2H3;3*4-5,8,10H,3,6-7,9H2,1-2H3;7-9H,3-6H2,1-2H3;4-5,9H,3,6-8H2,1-2H3;6-7,9H,3-5,8H2,1-2H3;4-5,8-9H,3,6-7H2,1-2H3;3,5-6,9H,4,7-8H2,1-2H3;3-6H,1-2H3;4-6H,1-3H3;4*3-6H,1-2H3;2*4-5H,1-3H3;3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3
InChIKeyIEHCPMBRSDURSX-UHFFFAOYSA-N
MW3900.65 g/mol
LogP50.37
Rot. Bonds46

About 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;1-methyl-2-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;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-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;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine

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;1-methyl-2-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;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-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;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine (PubChem CID 158673998) has the molecular formula C229H349N49O7 and a molecular weight of 3900.65 g/mol. Its IUPAC name is 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;1-methyl-2-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;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-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;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine.

Molecular Properties

Compound Name2-(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;1-methyl-2-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;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-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;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine
PubChem CID158673998
Molecular FormulaC229H349N49O7
Molecular Weight3900.65 g/mol
Exact Mass3897.85
IUPAC Name2-(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;1-methyl-2-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;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-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;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine
SMILESCC(C)c1cc(CN2CCC2)ccn1.CC(C)c1ccc(CN2CCC2)cn1.CC(C)c1ccc(CN2CCCC2)cn1.CC(C)c1cccc(CN2CCCC2)n1.CC(C)c1cccc(N2CCC2)n1.CC(C)c1cccnn1.CC(C)c1ccnc(CN2CCC2)c1.CC(C)c1ccnc(CN2CCC2)n1.CC(C)c1ccnc(CN2CCCCC2)n1.CC(C)c1ccnc(N2CCC2)c1.CC(C)c1ccncn1.CC(C)c1ccno1.CC(C)c1cncc(CN2CCC2)n1.CC(C)c1cncc(CN2CCCCC2)n1.CC(C)c1cncc(N2CCOCC2)n1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1ncco1.Cc1cc(C(C)C)no1.Cc1ncoc1C(C)C
InChIInChI=1S/2C13H21N3.2C13H20N2.3C12H18N2.C11H17N3O.2C11H17N3.2C11H16N2.C7H10N2.C7H12N2.4C7H10N2.2C7H11NO.C6H10N2.4C6H9NO/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;1-11(2)13-7-5-6-12(14-13)10-15-8-3-4-9-15;1-11(2)13-6-5-12(9-14-13)10-15-7-3-4-8-15;1-10(2)11-4-5-13-12(8-11)9-14-6-3-7-14;1-10(2)12-8-11(4-5-13-12)9-14-6-3-7-14;1-10(2)12-5-4-11(8-13-12)9-14-6-3-7-14;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;1-9(2)10-4-5-12-11(8-10)13-6-3-7-13;1-9(2)10-5-3-6-11(12-10)13-7-4-8-13;1-6(2)7-3-8-5-9-4-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;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;1-5(2)6-7-3-4-8-6;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/h6-7,11H,3-5,8-10H2,1-2H3;8-9,11H,3-7,10H2,1-2H3;5-7,11H,3-4,8-10H2,1-2H3;5-6,9,11H,3-4,7-8,10H2,1-2H3;3*4-5,8,10H,3,6-7,9H2,1-2H3;7-9H,3-6H2,1-2H3;4-5,9H,3,6-8H2,1-2H3;6-7,9H,3-5,8H2,1-2H3;4-5,8-9H,3,6-7H2,1-2H3;3,5-6,9H,4,7-8H2,1-2H3;3-6H,1-2H3;4-6H,1-3H3;4*3-6H,1-2H3;2*4-5H,1-3H3;3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3
InChIKeyIEHCPMBRSDURSX-UHFFFAOYSA-N
XLogP50.37
TPSA598.82 Ų
H-Bond Donors1
H-Bond Acceptors55
Rotatable Bonds46
Heavy Atoms285
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003900.65
LogP ≤ 550.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1055

Analyze 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;1-methyl-2-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;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-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;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine 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-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;1-methyl-2-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;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-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;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine?
The IUPAC name of 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;1-methyl-2-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;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-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;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine (CID 158673998) is 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;1-methyl-2-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;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-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;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine.
What is the SMILES notation for 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;1-methyl-2-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;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-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;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine?
The canonical SMILES for 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;1-methyl-2-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;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-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;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine is CC(C)c1cc(CN2CCC2)ccn1.CC(C)c1ccc(CN2CCC2)cn1.CC(C)c1ccc(CN2CCCC2)cn1.CC(C)c1cccc(CN2CCCC2)n1.CC(C)c1cccc(N2CCC2)n1.CC(C)c1cccnn1.CC(C)c1ccnc(CN2CCC2)c1.CC(C)c1ccnc(CN2CCC2)n1.CC(C)c1ccnc(CN2CCCCC2)n1.CC(C)c1ccnc(N2CCC2)c1.CC(C)c1ccncn1.CC(C)c1ccno1.CC(C)c1cncc(CN2CCC2)n1.CC(C)c1cncc(CN2CCCCC2)n1.CC(C)c1cncc(N2CCOCC2)n1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1ncco1.Cc1cc(C(C)C)no1.Cc1ncoc1C(C)C.
What is the InChIKey of 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;1-methyl-2-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;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-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;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine?
The InChIKey is IEHCPMBRSDURSX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H21N3.2C13H20N2.3C12H18N2.C11H17N3O.2C11H17N3.2C11H16N2.C7H10N2.C7H12N2.4C7H10N2.2C7H11NO.C6H10N2.4C6H9NO/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;1-11(2)13-7-5-6-12(14-13)10-15-8-3-4-9-15;1-11(2)13-6-5-12(9-14-13)10-15-7-3-4-8-15;1-10(2)11-4-5-13-12(8-11)9-14-6-3-7-14;1-10(2)12-8-11(4-5-13-12)9-14-6-3-7-14;1-10(2)12-5-4-11(8-13-12)9-14-6-3-7-14;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;1-9(2)10-4-5-12-11(8-10)13-6-3-7-13;1-9(2)10-5-3-6-11(12-10)13-7-4-8-13;1-6(2)7-3-8-5-9-4-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;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;1-5(2)6-7-3-4-8-6;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/h6-7,11H,3-5,8-10H2,1-2H3;8-9,11H,3-7,10H2,1-2H3;5-7,11H,3-4,8-10H2,1-2H3;5-6,9,11H,3-4,7-8,10H2,1-2H3;3*4-5,8,10H,3,6-7,9H2,1-2H3;7-9H,3-6H2,1-2H3;4-5,9H,3,6-8H2,1-2H3;6-7,9H,3-5,8H2,1-2H3;4-5,8-9H,3,6-7H2,1-2H3;3,5-6,9H,4,7-8H2,1-2H3;3-6H,1-2H3;4-6H,1-3H3;4*3-6H,1-2H3;2*4-5H,1-3H3;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-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;1-methyl-2-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;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-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;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine?
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;1-methyl-2-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;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-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;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine has a molecular weight of 3900.65 g/mol, XLogP of 50.37, 46 rotatable bonds, 1 hydrogen bond donors, and 55 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-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;1-methyl-2-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;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-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;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine is sourced from PubChem (CID 158673998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).