N-[[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[(6-piperazin-1-ylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;N,N,N'-trimethyl-N'-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]ethane-1,2-diamine

C141H202N42O2S — CID 158348580

About N-[[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[(6-piperazin-1-ylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;N,N,N'-trimethyl-N'-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]ethane-1,2-diamine

N-[[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[(6-piperazin-1-ylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;N,N,N'-trimethyl-N'-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]ethane-1,2-diamine (PubChem CID 158348580) has the molecular formula C141H202N42O2S and a molecular weight of 2549.53 g/mol. Its IUPAC name is N-[[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[(6-piperazin-1-ylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;N,N,N'-trimethyl-N'-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: N-[[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[(6-piperazin-1-ylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;N,N,N'-trimethyl-N'-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]ethane-1,2-diamine
• PubChem CID: 158348580
• Molecular Formula: C141H202N42O2S
• Molecular Weight: 2549.53 g/mol
• Exact Mass: 2547.67
• IUPAC Name: N-[[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[(6-piperazin-1-ylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;N,N,N'-trimethyl-N'-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]ethane-1,2-diamine
• SMILES: CC(c1ccccn1)N(C)Cc1cc(N2CCN(C)CC2)ncn1.CN(C)CCN(C)c1cc(CN(C)C2CCCc3cccnc32)ncn1.CN(Cc1cc(N2CCN(CCO)CC2)ncn1)C1CCCc2cccnc21.CN(Cc1cc(N2CCNCC2)ncn1)C1CCCc2cccnc21.CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)ncn2)CC1.COCCN1CCN(c2cc(CN(C)C3CCCc4cccnc43)ncn2)CC1.CSc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1
• InChI: InChI=1S/C22H32N6O.C21H30N6O.C21H30N6S.C20H28N6.C20H30N6.C19H26N6.C18H26N6/c1-26(20-7-3-5-18-6-4-8-23-22(18)20)16-19-15-21(25-17-24-19)28-11-9-27(10-12-28)13-14-29-2;1-25(19-6-2-4-17-5-3-7-22-21(17)19)15-18-14-20(24-16-23-18)27-10-8-26(9-11-27)12-13-28;1-25-10-12-27(13-11-25)19-14-17(23-21(24-19)28-3)15-26(2)18-8-4-6-16-7-5-9-22-20(16)18;1-24-9-11-26(12-10-24)19-13-17(22-15-23-19)14-25(2)18-7-3-5-16-6-4-8-21-20(16)18;1-24(2)11-12-25(3)19-13-17(22-15-23-19)14-26(4)18-9-5-7-16-8-6-10-21-20(16)18;1-24(17-6-2-4-15-5-3-7-21-19(15)17)13-16-12-18(23-14-22-16)25-10-8-20-9-11-25;1-15(17-6-4-5-7-19-17)23(3)13-16-12-18(21-14-20-16)24-10-8-22(2)9-11-24/h4,6,8,15,17,20H,3,5,7,9-14,16H2,1-2H3;3,5,7,14,16,19,28H,2,4,6,8-13,15H2,1H3;5,7,9,14,18H,4,6,8,10-13,15H2,1-3H3;4,6,8,13,15,18H,3,5,7,9-12,14H2,1-2H3;6,8,10,13,15,18H,5,7,9,11-12,14H2,1-4H3;3,5,7,12,14,17,20H,2,4,6,8-11,13H2,1H3;4-7,12,14-15H,8-11,13H2,1-3H3
• InChIKey: GSAPVBHTMGCXFP-UHFFFAOYSA-N
• XLogP: 14.62
• TPSA: 376.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 45
• Rotatable Bonds: 38
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2549.53
LogP ≤ 5	14.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[(6-piperazin-1-ylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;N,N,N'-trimethyl-N'-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]ethane-1,2-diamine?

The IUPAC name of N-[[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[(6-piperazin-1-ylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;N,N,N'-trimethyl-N'-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]ethane-1,2-diamine (CID 158348580) is N-[[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[(6-piperazin-1-ylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;N,N,N'-trimethyl-N'-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]ethane-1,2-diamine.

What is the SMILES notation for N-[[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[(6-piperazin-1-ylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;N,N,N'-trimethyl-N'-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]ethane-1,2-diamine?

The canonical SMILES for N-[[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[(6-piperazin-1-ylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;N,N,N'-trimethyl-N'-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]ethane-1,2-diamine is CC(c1ccccn1)N(C)Cc1cc(N2CCN(C)CC2)ncn1.CN(C)CCN(C)c1cc(CN(C)C2CCCc3cccnc32)ncn1.CN(Cc1cc(N2CCN(CCO)CC2)ncn1)C1CCCc2cccnc21.CN(Cc1cc(N2CCNCC2)ncn1)C1CCCc2cccnc21.CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)ncn2)CC1.COCCN1CCN(c2cc(CN(C)C3CCCc4cccnc43)ncn2)CC1.CSc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1.

What is the InChIKey of N-[[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[(6-piperazin-1-ylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;N,N,N'-trimethyl-N'-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]ethane-1,2-diamine?

The InChIKey is GSAPVBHTMGCXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O.C21H30N6O.C21H30N6S.C20H28N6.C20H30N6.C19H26N6.C18H26N6/c1-26(20-7-3-5-18-6-4-8-23-22(18)20)16-19-15-21(25-17-24-19)28-11-9-27(10-12-28)13-14-29-2;1-25(19-6-2-4-17-5-3-7-22-21(17)19)15-18-14-20(24-16-23-18)27-10-8-26(9-11-27)12-13-28;1-25-10-12-27(13-11-25)19-14-17(23-21(24-19)28-3)15-26(2)18-8-4-6-16-7-5-9-22-20(16)18;1-24-9-11-26(12-10-24)19-13-17(22-15-23-19)14-25(2)18-7-3-5-16-6-4-8-21-20(16)18;1-24(2)11-12-25(3)19-13-17(22-15-23-19)14-26(4)18-9-5-7-16-8-6-10-21-20(16)18;1-24(17-6-2-4-15-5-3-7-21-19(15)17)13-16-12-18(23-14-22-16)25-10-8-20-9-11-25;1-15(17-6-4-5-7-19-17)23(3)13-16-12-18(21-14-20-16)24-10-8-22(2)9-11-24/h4,6,8,15,17,20H,3,5,7,9-14,16H2,1-2H3;3,5,7,14,16,19,28H,2,4,6,8-13,15H2,1H3;5,7,9,14,18H,4,6,8,10-13,15H2,1-3H3;4,6,8,13,15,18H,3,5,7,9-12,14H2,1-2H3;6,8,10,13,15,18H,5,7,9,11-12,14H2,1-4H3;3,5,7,12,14,17,20H,2,4,6,8-11,13H2,1H3;4-7,12,14-15H,8-11,13H2,1-3H3.

What are the key properties of N-[[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[(6-piperazin-1-ylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;N,N,N'-trimethyl-N'-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]ethane-1,2-diamine?

N-[[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[(6-piperazin-1-ylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;N,N,N'-trimethyl-N'-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]ethane-1,2-diamine has a molecular weight of 2549.53 g/mol, XLogP of 14.62, 38 rotatable bonds, 2 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[(6-piperazin-1-ylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;N,N,N'-trimethyl-N'-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 158348580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).