8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-7-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine
C59H64Cl6FN13S — CID 165061353
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-7-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine
SMILESCC1(C)CCN(c2nc(CF)c(-c3cccc(Cl)c3Cl)c3nccn23)CC1.CC1(C)CCN(c2nc(N)c(-c3cccc(Cl)c3Cl)c3nccn23)CC1.Cc1nc(N2CCC(C)(C)CC2)n2ccnc2c1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C20H21Cl2FN4.C20H22Cl2N4S.C19H21Cl2N5/c1-20(2)6-9-26(10-7-20)19-25-15(12-23)16(18-24-8-11-27(18)19)13-4-3-5-14(21)17(13)22;1-13-17(27-15-6-4-5-14(21)16(15)22)18-23-9-12-26(18)19(24-13)25-10-7-20(2,3)8-11-25;1-19(2)6-9-25(10-7-19)18-24-16(22)14(17-23-8-11-26(17)18)12-4-3-5-13(20)15(12)21/h3-5,8,11H,6-7,9-10,12H2,1-2H3;4-6,9,12H,7-8,10-11H2,1-3H3;3-5,8,11H,6-7,9-10,22H2,1-2H3
InChIKeyRGIDFCOVXYWMGU-UHFFFAOYSA-N
MW1219.03 g/mol
LogP16.83
Rot. Bonds8
About 8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-7-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine
8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-7-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine (PubChem CID 165061353) has the molecular formula C59H64Cl6FN13S and a molecular weight of 1219.03 g/mol. Its IUPAC name is 8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-7-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine.
Molecular Properties
| Compound Name | 8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-7-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine |
|---|---|
| PubChem CID | 165061353 |
| Molecular Formula | C59H64Cl6FN13S |
| Molecular Weight | 1219.03 g/mol |
| Exact Mass | 1215.32 |
| IUPAC Name | 8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-7-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine |
| SMILES | CC1(C)CCN(c2nc(CF)c(-c3cccc(Cl)c3Cl)c3nccn23)CC1.CC1(C)CCN(c2nc(N)c(-c3cccc(Cl)c3Cl)c3nccn23)CC1.Cc1nc(N2CCC(C)(C)CC2)n2ccnc2c1Sc1cccc(Cl)c1Cl |
| InChI | InChI=1S/C20H21Cl2FN4.C20H22Cl2N4S.C19H21Cl2N5/c1-20(2)6-9-26(10-7-20)19-25-15(12-23)16(18-24-8-11-27(18)19)13-4-3-5-14(21)17(13)22;1-13-17(27-15-6-4-5-14(21)16(15)22)18-23-9-12-26(18)19(24-13)25-10-7-20(2,3)8-11-25;1-19(2)6-9-25(10-7-19)18-24-16(22)14(17-23-8-11-26(17)18)12-4-3-5-13(20)15(12)21/h3-5,8,11H,6-7,9-10,12H2,1-2H3;4-6,9,12H,7-8,10-11H2,1-3H3;3-5,8,11H,6-7,9-10,22H2,1-2H3 |
| InChIKey | RGIDFCOVXYWMGU-UHFFFAOYSA-N |
| XLogP | 16.83 |
| TPSA | 126.31 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 80 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1219.03 |
| LogP ≤ 5 | 16.83 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 14 |
Frequently Asked Questions
What is the IUPAC name of 8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-7-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine?
The IUPAC name of 8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-7-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine (CID 165061353) is 8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-7-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine.
What is the SMILES notation for 8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-7-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine?
The canonical SMILES for 8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-7-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine is CC1(C)CCN(c2nc(CF)c(-c3cccc(Cl)c3Cl)c3nccn23)CC1.CC1(C)CCN(c2nc(N)c(-c3cccc(Cl)c3Cl)c3nccn23)CC1.Cc1nc(N2CCC(C)(C)CC2)n2ccnc2c1Sc1cccc(Cl)c1Cl.
What is the InChIKey of 8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-7-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine?
The InChIKey is RGIDFCOVXYWMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2FN4.C20H22Cl2N4S.C19H21Cl2N5/c1-20(2)6-9-26(10-7-20)19-25-15(12-23)16(18-24-8-11-27(18)19)13-4-3-5-14(21)17(13)22;1-13-17(27-15-6-4-5-14(21)16(15)22)18-23-9-12-26(18)19(24-13)25-10-7-20(2,3)8-11-25;1-19(2)6-9-25(10-7-19)18-24-16(22)14(17-23-8-11-26(17)18)12-4-3-5-13(20)15(12)21/h3-5,8,11H,6-7,9-10,12H2,1-2H3;4-6,9,12H,7-8,10-11H2,1-3H3;3-5,8,11H,6-7,9-10,22H2,1-2H3.
What are the key properties of 8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-7-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine?
8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-7-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine has a molecular weight of 1219.03 g/mol, XLogP of 16.83, 8 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-7-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 165061353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 165061353 — identifiers, structure, computed properties (public domain)
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