C116H164ClN29O2 — CID 161410987
4-[(4-aminocyclohexyl)methyl]-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;bis(2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one);4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-4-yl]methyl]cyclohexan-1-amine (PubChem CID 161410987) has the molecular formula C116H164ClN29O2 and a molecular weight of 2032.24 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)methyl]-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;bis(2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one);4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-4-yl]methyl]cyclohexan-1-amine.
| Compound Name | 4-[(4-aminocyclohexyl)methyl]-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;bis(2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one);4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-4-yl]methyl]cyclohexan-1-amine |
|---|---|
| PubChem CID | 161410987 |
| Molecular Formula | C116H164ClN29O2 |
| Molecular Weight | 2032.24 g/mol |
| Exact Mass | 2030.33 |
| IUPAC Name | 4-[(4-aminocyclohexyl)methyl]-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;bis(2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one);4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-4-yl]methyl]cyclohexan-1-amine |
| SMILES | Cn1ncc(-c2cc(=O)[nH]c(CC3CCC(N)CC3)n2)c1CC1CC1.Cn1ncc(-c2cc(=O)[nH]c(CC3CCC(N)CC3)n2)c1CC1CC1.Cn1ncc(-c2cc(CC3CCC(N)CC3)nc(N)n2)c1CC1CC1.Cn1ncc(-c2cc(CC3CCC(N)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2cc(CC3CCC(N)CC3)ncn2)c1CC1CC1.Cn1ncc(-c2cccc(CC3CCC(N)CC3)n2)c1CC1CC1 |
| InChI | InChI=1S/C20H27ClN4.C20H28N4.C19H28N6.2C19H27N5O.C19H27N5/c1-25-20(9-14-2-3-14)18(11-24-25)17-10-16(23-12-19(17)21)8-13-4-6-15(22)7-5-13;1-24-20(12-15-5-6-15)18(13-22-24)19-4-2-3-17(23-19)11-14-7-9-16(21)10-8-14;1-25-18(9-13-2-3-13)16(11-22-25)17-10-15(23-19(21)24-17)8-12-4-6-14(20)7-5-12;2*1-24-17(8-12-2-3-12)15(11-21-24)16-10-19(25)23-18(22-16)9-13-4-6-14(20)7-5-13;1-24-19(9-14-2-3-14)17(11-23-24)18-10-16(21-12-22-18)8-13-4-6-15(20)7-5-13/h10-15H,2-9,22H2,1H3;2-4,13-16H,5-12,21H2,1H3;10-14H,2-9,20H2,1H3,(H2,21,23,24);2*10-14H,2-9,20H2,1H3,(H,22,23,25);10-15H,2-9,20H2,1H3 |
| InChIKey | VVLRVURQAADYBO-UHFFFAOYSA-N |
| XLogP | 17.37 |
| TPSA | 457.90 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 148 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2032.24 |
| LogP ≤ 5 | 17.37 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 29 |