C157H201F4N27O3 — CID 159403969
2-(cyclopropylmethyl)-5-methylpyrazine;3-(cyclopropylmethyl)-6-methylpyridazine;2-(cyclopropylmethyl)-5-methylpyridine;2-(cyclopropylmethyl)-5-methylpyrimidine;2-cyclopropyl-5-methylpyrazine;3-cyclopropyl-6-methylpyridazine;2-cyclopropyl-5-methylpyridine;5-cyclopropyl-2-methylpyridine;1-cyclopropyl-4-methylpyridin-2-one;2-cyclopropyl-5-methylpyrimidine;5-cyclopropyl-2-methylpyrimidine;5-cyclopropyloxy-2-methylpyridine;2-(1,1-difluoroethyl)-5-methylpyridine;2-(1-fluoroethoxy)-5-methylpyridine;2-(1-fluoroethyl)-5-methylpyridine;methane;5-methyl-2-propylpyridine;1-(5-methyl-2-pyridinyl)cyclopropane-1-carbonitrile;N,N,5-trimethylpyridin-2-amine (PubChem CID 159403969) has the molecular formula C157H201F4N27O3 and a molecular weight of 2590.51 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5-methylpyrazine;3-(cyclopropylmethyl)-6-methylpyridazine;2-(cyclopropylmethyl)-5-methylpyridine;2-(cyclopropylmethyl)-5-methylpyrimidine;2-cyclopropyl-5-methylpyrazine;3-cyclopropyl-6-methylpyridazine;2-cyclopropyl-5-methylpyridine;5-cyclopropyl-2-methylpyridine;1-cyclopropyl-4-methylpyridin-2-one;2-cyclopropyl-5-methylpyrimidine;5-cyclopropyl-2-methylpyrimidine;5-cyclopropyloxy-2-methylpyridine;2-(1,1-difluoroethyl)-5-methylpyridine;2-(1-fluoroethoxy)-5-methylpyridine;2-(1-fluoroethyl)-5-methylpyridine;methane;5-methyl-2-propylpyridine;1-(5-methyl-2-pyridinyl)cyclopropane-1-carbonitrile;N,N,5-trimethylpyridin-2-amine.
| Compound Name | 2-(cyclopropylmethyl)-5-methylpyrazine;3-(cyclopropylmethyl)-6-methylpyridazine;2-(cyclopropylmethyl)-5-methylpyridine;2-(cyclopropylmethyl)-5-methylpyrimidine;2-cyclopropyl-5-methylpyrazine;3-cyclopropyl-6-methylpyridazine;2-cyclopropyl-5-methylpyridine;5-cyclopropyl-2-methylpyridine;1-cyclopropyl-4-methylpyridin-2-one;2-cyclopropyl-5-methylpyrimidine;5-cyclopropyl-2-methylpyrimidine;5-cyclopropyloxy-2-methylpyridine;2-(1,1-difluoroethyl)-5-methylpyridine;2-(1-fluoroethoxy)-5-methylpyridine;2-(1-fluoroethyl)-5-methylpyridine;methane;5-methyl-2-propylpyridine;1-(5-methyl-2-pyridinyl)cyclopropane-1-carbonitrile;N,N,5-trimethylpyridin-2-amine |
|---|---|
| PubChem CID | 159403969 |
| Molecular Formula | C157H201F4N27O3 |
| Molecular Weight | 2590.51 g/mol |
| Exact Mass | 2588.63 |
| IUPAC Name | 2-(cyclopropylmethyl)-5-methylpyrazine;3-(cyclopropylmethyl)-6-methylpyridazine;2-(cyclopropylmethyl)-5-methylpyridine;2-(cyclopropylmethyl)-5-methylpyrimidine;2-cyclopropyl-5-methylpyrazine;3-cyclopropyl-6-methylpyridazine;2-cyclopropyl-5-methylpyridine;5-cyclopropyl-2-methylpyridine;1-cyclopropyl-4-methylpyridin-2-one;2-cyclopropyl-5-methylpyrimidine;5-cyclopropyl-2-methylpyrimidine;5-cyclopropyloxy-2-methylpyridine;2-(1,1-difluoroethyl)-5-methylpyridine;2-(1-fluoroethoxy)-5-methylpyridine;2-(1-fluoroethyl)-5-methylpyridine;methane;5-methyl-2-propylpyridine;1-(5-methyl-2-pyridinyl)cyclopropane-1-carbonitrile;N,N,5-trimethylpyridin-2-amine |
| SMILES | C.CCCc1ccc(C)cn1.Cc1ccc(C(C)(F)F)nc1.Cc1ccc(C(C)F)nc1.Cc1ccc(C2(C#N)CC2)nc1.Cc1ccc(C2CC2)cn1.Cc1ccc(C2CC2)nc1.Cc1ccc(C2CC2)nn1.Cc1ccc(CC2CC2)nc1.Cc1ccc(CC2CC2)nn1.Cc1ccc(N(C)C)nc1.Cc1ccc(OC(C)F)nc1.Cc1ccc(OC2CC2)cn1.Cc1ccn(C2CC2)c(=O)c1.Cc1cnc(C2CC2)cn1.Cc1cnc(C2CC2)nc1.Cc1cnc(CC2CC2)cn1.Cc1cnc(CC2CC2)nc1.Cc1ncc(C2CC2)cn1 |
| InChI | InChI=1S/C10H10N2.C10H13N.3C9H12N2.2C9H11NO.2C9H11N.C9H13N.C8H9F2N.C8H10FNO.C8H10FN.4C8H10N2.C8H12N2.CH4/c1-8-2-3-9(12-6-8)10(7-11)4-5-10;1-8-2-5-10(11-7-8)6-9-3-4-9;1-7-2-5-9(11-10-7)6-8-3-4-8;1-7-5-11-9(6-10-7)4-8-2-3-8;1-7-5-10-9(11-6-7)4-8-2-3-8;1-7-4-5-10(8-2-3-8)9(11)6-7;1-7-2-3-9(6-10-7)11-8-4-5-8;1-7-2-5-9(10-6-7)8-3-4-8;1-7-2-3-9(6-10-7)8-4-5-8;1-3-4-9-6-5-8(2)7-10-9;1-6-3-4-7(11-5-6)8(2,9)10;1-6-3-4-8(10-5-6)11-7(2)9;1-6-3-4-8(7(2)9)10-5-6;1-6-2-5-8(10-9-6)7-3-4-7;1-6-9-4-8(5-10-6)7-2-3-7;1-6-4-10-8(5-9-6)7-2-3-7;1-6-4-9-8(10-5-6)7-2-3-7;1-7-4-5-8(9-6-7)10(2)3;/h2-3,6H,4-5H2,1H3;2,5,7,9H,3-4,6H2,1H3;2,5,8H,3-4,6H2,1H3;2*5-6,8H,2-4H2,1H3;4-6,8H,2-3H2,1H3;2-3,6,8H,4-5H2,1H3;2,5-6,8H,3-4H2,1H3;2-3,6,8H,4-5H2,1H3;5-7H,3-4H2,1-2H3;3-5H,1-2H3;3-5,7H,1-2H3;3-5,7H,1-2H3;2,5,7H,3-4H2,1H3;3*4-5,7H,2-3H2,1H3;4-6H,1-3H3;1H4 |
| InChIKey | LNSFECBHOZMTTB-UHFFFAOYSA-N |
| XLogP | 35.55 |
| TPSA | 376.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 191 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2590.51 |
| LogP ≤ 5 | 35.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 30 |