Methane;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;N-methyl-N-(methylsulfonylmethyl)-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1(13),4,6,8,11-pentaen-10-one;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone
C108H165N53O7S — CID 157068039
Data last refreshed: (MolForge compound catalog, from PubChem)
About Methane;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;N-methyl-N-(methylsulfonylmethyl)-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1(13),4,6,8,11-pentaen-10-one;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone
Methane;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;N-methyl-N-(methylsulfonylmethyl)-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1(13),4,6,8,11-pentaen-10-one;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone (PubChem CID 157068039) has the molecular formula C108H165N53O7S and a molecular weight of 2349.94 g/mol. Its IUPAC name is methane;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;N-methyl-N-(methylsulfonylmethyl)-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1(13),4,6,8,11-pentaen-10-one;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone.
Molecular Properties
| Compound Name | Methane;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;N-methyl-N-(methylsulfonylmethyl)-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1(13),4,6,8,11-pentaen-10-one;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone |
|---|---|
| PubChem CID | 157068039 |
| Molecular Formula | C108H165N53O7S |
| Molecular Weight | 2349.94 g/mol |
| Exact Mass | 2348.39 |
| IUPAC Name | methane;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;N-methyl-N-(methylsulfonylmethyl)-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1(13),4,6,8,11-pentaen-10-one;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone |
| SMILES | C.C.C.C.C.C=C1N=C(N)C=CN1C(C)C.C=C1NC(=O)C=CN1C(C)C.CC(=O)c1ncn(C(C)C)n1.CC(C)N1Nc2ccc(=O)nc3ncnc1c23.CC(C)n1cnc2c(N(C)CS(C)(=O)=O)ncnc21.CC(C)n1cnc2c(N)ncnc21.CC(C)n1ncc2c(N)ccnc21.CC(C)n1nnc2c(N)ncnc21.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc(N)c2nnn(C(C)C)c2n1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1 |
| InChI | InChI=1S/C11H17N5O2S.C11H11N5O.C9H13N5.C9H12N4O.C9H12N4.C8H12N6.C8H11N5O.C8H11N5.C8H13N3.C8H12N2O.C7H10N6.C7H11N3O.5CH4/c1-8(2)16-6-14-9-10(12-5-13-11(9)16)15(3)7-19(4,17)18;1-6(2)16-11-9-7(15-16)3-4-8(17)14-10(9)12-5-13-11;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-6(2)13-9-7(5-12-13)8(10)3-4-11-9;1-4(2)14-8-6(12-13-14)7(9)10-5(3)11-8;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-6(2)11-5-4-8(9)10-7(11)3;1-6(2)10-5-4-8(11)9-7(10)3;1-4(2)13-7-5(11-12-13)6(8)9-3-10-7;1-5(2)10-4-8-7(9-10)6(3)11;;;;;/h5-6,8H,7H2,1-4H3;3-6,15H,1-2H3;4-5H,1-3H3,(H2,10,12,13);4-5H,1-3H3,(H,11,12,14);3-6H,1-2H3,(H2,10,11);4H,1-3H3,(H2,9,10,11);4H,1-3H3,(H,9,10,14);3-5H,1-2H3,(H2,9,10,11);4-6H,3H2,1-2H3,(H2,9,10);4-6H,3H2,1-2H3,(H,9,11);3-4H,1-2H3,(H2,8,9,10);4-5H,1-3H3;5*1H4 |
| InChIKey | YRFHTEVVQFAKRX-UHFFFAOYSA-N |
| XLogP | 14.26 |
| TPSA | 774.75 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 57 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 169 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2349.94 |
| LogP ≤ 5 | 14.26 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 57 |
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Sources
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