2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethyl-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,5-diamine;N,N-bis(cyclopropylmethyl)-3-[[(5-ethylpyrimidin-2-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine;3-[[(5-bromo-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine

C170H189BrF15N27 — CID 160761020

About 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethyl-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,5-diamine;N,N-bis(cyclopropylmethyl)-3-[[(5-ethylpyrimidin-2-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine;3-[[(5-bromo-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine

2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethyl-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,5-diamine;N,N-bis(cyclopropylmethyl)-3-[[(5-ethylpyrimidin-2-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine;3-[[(5-bromo-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine (PubChem CID 160761020) has the molecular formula C170H189BrF15N27 and a molecular weight of 2975.44 g/mol. Its IUPAC name is 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethyl-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,5-diamine;N,N-bis(cyclopropylmethyl)-3-[[(5-ethylpyrimidin-2-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine;3-[[(5-bromo-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine.

Molecular Properties

• Compound Name: 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethyl-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,5-diamine;N,N-bis(cyclopropylmethyl)-3-[[(5-ethylpyrimidin-2-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine;3-[[(5-bromo-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine
• PubChem CID: 160761020
• Molecular Formula: C170H189BrF15N27
• Molecular Weight: 2975.44 g/mol
• Exact Mass: 2972.46
• IUPAC Name: 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethyl-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,5-diamine;N,N-bis(cyclopropylmethyl)-3-[[(5-ethylpyrimidin-2-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine;3-[[(5-bromo-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine
• SMILES: CCc1cnc(N(Cc2cc(C)cc(C(F)(F)F)c2)Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)nc1.Cc1cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2ccc(Br)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2ncc(N(C)C)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2ncc(N3CCN(C)CC3)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2ncccn2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C37H44F3N7.C34H39F3N6.C34H38F3N5.C33H34BrF3N4.C32H34F3N5/c1-25-15-29(17-32(16-25)37(38,39)40)23-47(36-41-19-33(20-42-36)45-13-11-44(3)12-14-45)24-31-18-30-6-4-5-26(2)34(30)43-35(31)46(21-27-7-8-27)22-28-9-10-28;1-22-12-26(14-29(13-22)34(35,36)37)20-43(33-38-16-30(17-39-33)41(3)4)21-28-15-27-7-5-6-23(2)31(27)40-32(28)42(18-24-8-9-24)19-25-10-11-25;1-4-24-16-38-33(39-17-24)42(20-27-12-22(2)13-30(14-27)34(35,36)37)21-29-15-28-7-5-6-23(3)31(28)40-32(29)41(18-25-8-9-25)19-26-10-11-26;1-21-12-25(14-28(13-21)33(35,36)37)19-40(30-11-10-29(34)16-38-30)20-27-15-26-5-3-4-22(2)31(26)39-32(27)41(17-23-6-7-23)18-24-8-9-24;1-21-13-25(15-28(14-21)32(33,34)35)19-40(31-36-11-4-12-37-31)20-27-16-26-6-3-5-22(2)29(26)38-30(27)39(17-23-7-8-23)18-24-9-10-24/h4-6,15-20,27-28H,7-14,21-24H2,1-3H3;5-7,12-17,24-25H,8-11,18-21H2,1-4H3;5-7,12-17,25-26H,4,8-11,18-21H2,1-3H3;3-5,10-16,23-24H,6-9,17-20H2,1-2H3;3-6,11-16,23-24H,7-10,17-20H2,1-2H3
• InChIKey: RYBJUCSKKDCIFQ-UHFFFAOYSA-N
• XLogP: 39.22
• TPSA: 222.58 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 53
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2975.44
LogP ≤ 5	39.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethyl-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,5-diamine;N,N-bis(cyclopropylmethyl)-3-[[(5-ethylpyrimidin-2-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine;3-[[(5-bromo-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine?

The IUPAC name of 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethyl-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,5-diamine;N,N-bis(cyclopropylmethyl)-3-[[(5-ethylpyrimidin-2-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine;3-[[(5-bromo-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine (CID 160761020) is 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethyl-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,5-diamine;N,N-bis(cyclopropylmethyl)-3-[[(5-ethylpyrimidin-2-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine;3-[[(5-bromo-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine.

What is the SMILES notation for 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethyl-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,5-diamine;N,N-bis(cyclopropylmethyl)-3-[[(5-ethylpyrimidin-2-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine;3-[[(5-bromo-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine?

The canonical SMILES for 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethyl-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,5-diamine;N,N-bis(cyclopropylmethyl)-3-[[(5-ethylpyrimidin-2-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine;3-[[(5-bromo-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine is CCc1cnc(N(Cc2cc(C)cc(C(F)(F)F)c2)Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)nc1.Cc1cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2ccc(Br)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2ncc(N(C)C)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2ncc(N3CCN(C)CC3)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2ncccn2)cc(C(F)(F)F)c1.

What is the InChIKey of 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethyl-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,5-diamine;N,N-bis(cyclopropylmethyl)-3-[[(5-ethylpyrimidin-2-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine;3-[[(5-bromo-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine?

The InChIKey is RYBJUCSKKDCIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44F3N7.C34H39F3N6.C34H38F3N5.C33H34BrF3N4.C32H34F3N5/c1-25-15-29(17-32(16-25)37(38,39)40)23-47(36-41-19-33(20-42-36)45-13-11-44(3)12-14-45)24-31-18-30-6-4-5-26(2)34(30)43-35(31)46(21-27-7-8-27)22-28-9-10-28;1-22-12-26(14-29(13-22)34(35,36)37)20-43(33-38-16-30(17-39-33)41(3)4)21-28-15-27-7-5-6-23(2)31(27)40-32(28)42(18-24-8-9-24)19-25-10-11-25;1-4-24-16-38-33(39-17-24)42(20-27-12-22(2)13-30(14-27)34(35,36)37)21-29-15-28-7-5-6-23(3)31(28)40-32(29)41(18-25-8-9-25)19-26-10-11-26;1-21-12-25(14-28(13-21)33(35,36)37)19-40(30-11-10-29(34)16-38-30)20-27-15-26-5-3-4-22(2)31(26)39-32(27)41(17-23-6-7-23)18-24-8-9-24;1-21-13-25(15-28(14-21)32(33,34)35)19-40(31-36-11-4-12-37-31)20-27-16-26-6-3-5-22(2)29(26)38-30(27)39(17-23-7-8-23)18-24-9-10-24/h4-6,15-20,27-28H,7-14,21-24H2,1-3H3;5-7,12-17,24-25H,8-11,18-21H2,1-4H3;5-7,12-17,25-26H,4,8-11,18-21H2,1-3H3;3-5,10-16,23-24H,6-9,17-20H2,1-2H3;3-6,11-16,23-24H,7-10,17-20H2,1-2H3.

What are the key properties of 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethyl-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,5-diamine;N,N-bis(cyclopropylmethyl)-3-[[(5-ethylpyrimidin-2-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine;3-[[(5-bromo-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine?

2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethyl-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,5-diamine;N,N-bis(cyclopropylmethyl)-3-[[(5-ethylpyrimidin-2-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine;3-[[(5-bromo-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine has a molecular weight of 2975.44 g/mol, XLogP of 39.22, 53 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethyl-2-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,5-diamine;N,N-bis(cyclopropylmethyl)-3-[[(5-ethylpyrimidin-2-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine;3-[[(5-bromo-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine is sourced from PubChem (CID 160761020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).