8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-7-amine;1-[8-(2,3-dichlorophenyl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine

C₅₈H₆₃Cl₆FN₁₄S — CID 165035627

About 8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-7-amine;1-[8-(2,3-dichlorophenyl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-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)imidazo[1,2-c]pyrimidin-7-amine;1-[8-(2,3-dichlorophenyl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine (PubChem CID 165035627) has the molecular formula C₅₈H₆₃Cl₆FN₁₄S and a molecular weight of 1220.02 g/mol. Its IUPAC name is 8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-7-amine;1-[8-(2,3-dichlorophenyl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-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)imidazo[1,2-c]pyrimidin-7-amine;1-[8-(2,3-dichlorophenyl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine
• PubChem CID: 165035627
• Molecular Formula: C₅₈H₆₃Cl₆FN₁₄S
• Molecular Weight: 1220.02 g/mol
• Exact Mass: 1216.32
• IUPAC Name: 8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-7-amine;1-[8-(2,3-dichlorophenyl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine
• SMILES: CC1(C)CCN(c2nc(N)c(-c3cccc(Cl)c3Cl)c3nccn23)CC1.CC1(N)CCN(c2nc(CF)c(-c3cccc(Cl)c3Cl)c3nccn23)CC1.Cc1nc(N2CCC(C)(C)CC2)n2ccnc2c1Sc1cccc(Cl)c1Cl
• InChI: InChI=1S/C20H22Cl2N4S.C19H20Cl2FN5.C19H21Cl2N5/c1-13-17(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(23)5-8-26(9-6-19)18-25-14(11-22)15(17-24-7-10-27(17)18)12-3-2-4-13(20)16(12)21;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/h4-6,9,12H,7-8,10-11H2,1-3H3;2-4,7,10H,5-6,8-9,11,23H2,1H3;3-5,8,11H,6-7,9-10,22H2,1-2H3
• InChIKey: NIIWPTWGRXCPMM-UHFFFAOYSA-N
• XLogP: 15.52
• TPSA: 152.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1220.02
LogP ≤ 5	15.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-7-amine;1-[8-(2,3-dichlorophenyl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-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)imidazo[1,2-c]pyrimidin-7-amine;1-[8-(2,3-dichlorophenyl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine (CID 165035627) is 8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-7-amine;1-[8-(2,3-dichlorophenyl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-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)imidazo[1,2-c]pyrimidin-7-amine;1-[8-(2,3-dichlorophenyl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-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)imidazo[1,2-c]pyrimidin-7-amine;1-[8-(2,3-dichlorophenyl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine is CC1(C)CCN(c2nc(N)c(-c3cccc(Cl)c3Cl)c3nccn23)CC1.CC1(N)CCN(c2nc(CF)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)imidazo[1,2-c]pyrimidin-7-amine;1-[8-(2,3-dichlorophenyl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine?

The InChIKey is NIIWPTWGRXCPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4S.C19H20Cl2FN5.C19H21Cl2N5/c1-13-17(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(23)5-8-26(9-6-19)18-25-14(11-22)15(17-24-7-10-27(17)18)12-3-2-4-13(20)16(12)21;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/h4-6,9,12H,7-8,10-11H2,1-3H3;2-4,7,10H,5-6,8-9,11,23H2,1H3;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)imidazo[1,2-c]pyrimidin-7-amine;1-[8-(2,3-dichlorophenyl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-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)imidazo[1,2-c]pyrimidin-7-amine;1-[8-(2,3-dichlorophenyl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine has a molecular weight of 1220.02 g/mol, XLogP of 15.52, 8 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-7-amine;1-[8-(2,3-dichlorophenyl)-7-(fluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 165035627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 165035627 — identifiers, structure, computed properties (public domain)

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