2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyridine;4-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;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;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;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;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
C189H294N46O5 — CID 159314892
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyridine;4-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;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;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;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;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
SMILESCC(C)c1cc(CN2CCC2)ccn1.CC(C)c1cccc(N2CCC2)n1.CC(C)c1cccnn1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccnc(CN2CCC2)c1.CC(C)c1ccnc(CN2CCC2)n1.CC(C)c1ccnc(CN2CCCCC2)n1.CC(C)c1ccncn1.CC(C)c1ccnn1C.CC(C)c1ccno1.CC(C)c1cnc[nH]1.CC(C)c1cncc(CN2CCC2)n1.CC(C)c1cncc(CN2CCCCC2)n1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)no1.Cc1nnc(C(C)C)o1
InChIInChI=1S/2C13H21N3.2C12H18N2.2C11H17N3.C11H16N2.C8H14N2.C7H10N2.2C7H12N2.4C7H10N2.C7H11NO.C6H10N2O.3C6H10N2.3C6H9NO/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)11-4-5-13-12(8-11)9-14-6-3-7-14;1-10(2)12-8-11(4-5-13-12)9-14-6-3-7-14;1-9(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)10-5-3-6-11(12-10)13-7-4-8-13;1-6(2)8-5-7(3)9-10(8)4;1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(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)7-4-6(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)6-3-7-4-8-6;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;2*4-5,8,10H,3,6-7,9H2,1-2H3;4-5,9H,3,6-8H2,1-2H3;6-7,9H,3-5,8H2,1-2H3;3,5-6,9H,4,7-8H2,1-2H3;5-6H,1-4H3;3-6H,1-2H3;2*4-6H,1-3H3;4*3-6H,1-2H3;4-5H,1-3H3;4H,1-3H3;3*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3
InChIKeyLCZXSUDLWNZGAS-UHFFFAOYSA-N
MW3290.75 g/mol
LogP42.56
Rot. Bonds36
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;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;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;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;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;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyridine;4-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;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;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;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;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine (PubChem CID 159314892) has the molecular formula C189H294N46O5 and a molecular weight of 3290.75 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;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;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;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;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;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine.
Molecular Properties
| Compound Name | 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyridine;4-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;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;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;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;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine |
|---|---|
| PubChem CID | 159314892 |
| Molecular Formula | C189H294N46O5 |
| Molecular Weight | 3290.75 g/mol |
| Exact Mass | 3288.42 |
| IUPAC Name | 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyridine;4-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;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;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;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;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine |
| SMILES | CC(C)c1cc(CN2CCC2)ccn1.CC(C)c1cccc(N2CCC2)n1.CC(C)c1cccnn1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccnc(CN2CCC2)c1.CC(C)c1ccnc(CN2CCC2)n1.CC(C)c1ccnc(CN2CCCCC2)n1.CC(C)c1ccncn1.CC(C)c1ccnn1C.CC(C)c1ccno1.CC(C)c1cnc[nH]1.CC(C)c1cncc(CN2CCC2)n1.CC(C)c1cncc(CN2CCCCC2)n1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)no1.Cc1nnc(C(C)C)o1 |
| InChI | InChI=1S/2C13H21N3.2C12H18N2.2C11H17N3.C11H16N2.C8H14N2.C7H10N2.2C7H12N2.4C7H10N2.C7H11NO.C6H10N2O.3C6H10N2.3C6H9NO/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)11-4-5-13-12(8-11)9-14-6-3-7-14;1-10(2)12-8-11(4-5-13-12)9-14-6-3-7-14;1-9(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)10-5-3-6-11(12-10)13-7-4-8-13;1-6(2)8-5-7(3)9-10(8)4;1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(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)7-4-6(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)6-3-7-4-8-6;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;2*4-5,8,10H,3,6-7,9H2,1-2H3;4-5,9H,3,6-8H2,1-2H3;6-7,9H,3-5,8H2,1-2H3;3,5-6,9H,4,7-8H2,1-2H3;5-6H,1-4H3;3-6H,1-2H3;2*4-6H,1-3H3;4*3-6H,1-2H3;4-5H,1-3H3;4H,1-3H3;3*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3 |
| InChIKey | LCZXSUDLWNZGAS-UHFFFAOYSA-N |
| XLogP | 42.56 |
| TPSA | 575.91 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 240 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3290.75 |
| LogP ≤ 5 | 42.56 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 48 |
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;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;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;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;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;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
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;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;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;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;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;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine (CID 159314892) 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;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;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;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;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;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine.
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;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;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;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;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;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
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;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;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;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;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;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine is CC(C)c1cc(CN2CCC2)ccn1.CC(C)c1cccc(N2CCC2)n1.CC(C)c1cccnn1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccnc(CN2CCC2)c1.CC(C)c1ccnc(CN2CCC2)n1.CC(C)c1ccnc(CN2CCCCC2)n1.CC(C)c1ccncn1.CC(C)c1ccnn1C.CC(C)c1ccno1.CC(C)c1cnc[nH]1.CC(C)c1cncc(CN2CCC2)n1.CC(C)c1cncc(CN2CCCCC2)n1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)no1.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-ylpyridine;4-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;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;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;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;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
The InChIKey is LCZXSUDLWNZGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H21N3.2C12H18N2.2C11H17N3.C11H16N2.C8H14N2.C7H10N2.2C7H12N2.4C7H10N2.C7H11NO.C6H10N2O.3C6H10N2.3C6H9NO/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)11-4-5-13-12(8-11)9-14-6-3-7-14;1-10(2)12-8-11(4-5-13-12)9-14-6-3-7-14;1-9(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)10-5-3-6-11(12-10)13-7-4-8-13;1-6(2)8-5-7(3)9-10(8)4;1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(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)7-4-6(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)6-3-7-4-8-6;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;2*4-5,8,10H,3,6-7,9H2,1-2H3;4-5,9H,3,6-8H2,1-2H3;6-7,9H,3-5,8H2,1-2H3;3,5-6,9H,4,7-8H2,1-2H3;5-6H,1-4H3;3-6H,1-2H3;2*4-6H,1-3H3;4*3-6H,1-2H3;4-5H,1-3H3;4H,1-3H3;3*3-5H,1-2H3,(H,7,8);3*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;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;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;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;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;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyridine;4-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;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;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;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;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine has a molecular weight of 3290.75 g/mol, XLogP of 42.56, 36 rotatable bonds, 3 hydrogen bond donors, and 48 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;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;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;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;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;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine is sourced from PubChem (CID 159314892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159314892 — identifiers, structure, computed properties (public domain)
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