4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[[6-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]methyl]-1,3,5-triazine;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-(3-methyloxetan-3-yl)methanol;methane;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylethenyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine

C114H135N39O4 — CID 159089194

About 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[[6-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]methyl]-1,3,5-triazine;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-(3-methyloxetan-3-yl)methanol;methane;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylethenyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine

4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[[6-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]methyl]-1,3,5-triazine;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-(3-methyloxetan-3-yl)methanol;methane;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylethenyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 159089194) has the molecular formula C114H135N39O4 and a molecular weight of 2115.60 g/mol. Its IUPAC name is 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[[6-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]methyl]-1,3,5-triazine;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-(3-methyloxetan-3-yl)methanol;methane;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylethenyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[[6-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]methyl]-1,3,5-triazine;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-(3-methyloxetan-3-yl)methanol;methane;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylethenyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine
• PubChem CID: 159089194
• Molecular Formula: C114H135N39O4
• Molecular Weight: 2115.60 g/mol
• Exact Mass: 2114.16
• IUPAC Name: 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[[6-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]methyl]-1,3,5-triazine;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-(3-methyloxetan-3-yl)methanol;methane;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylethenyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine
• SMILES: C.C=C(c1ccccc1)c1cnc(N2CCN(c3ncnc(Nc4cnn(C[C@@H]5CNCCO5)c4)n3)CC2)nc1.CC1(C(O)c2ccc(Nc3ncnc(N4CCN(c5ncc(Cc6ccccc6)cn5)CC4)n3)cc2)COC1.CN1CCC(Cn2cc(Nc3ncnc(N4CCN(c5ncc(Cc6ccccc6)cn5)CC4)n3)cn2)CC1.c1ccc(Cc2cnc(N3CCN(c4ncnc(Cc5ccc(O[C@H]6CCCNC6)nc5)n4)CC3)nc2)cc1
• InChI: InChI=1S/C29H33N9O.C29H32N8O2.C28H35N11.C27H31N11O.CH4/c1-2-5-22(6-3-1)15-24-18-32-28(33-19-24)37-11-13-38(14-12-37)29-35-21-34-26(36-29)16-23-8-9-27(31-17-23)39-25-7-4-10-30-20-25;1-29(18-39-19-29)25(38)23-7-9-24(10-8-23)34-26-32-20-33-28(35-26)37-13-11-36(12-14-37)27-30-16-22(17-31-27)15-21-5-3-2-4-6-21;1-36-9-7-23(8-10-36)19-39-20-25(18-33-39)34-26-31-21-32-28(35-26)38-13-11-37(12-14-38)27-29-16-24(17-30-27)15-22-5-3-2-4-6-22;1-20(21-5-3-2-4-6-21)22-13-29-26(30-14-22)36-8-10-37(11-9-36)27-32-19-31-25(35-27)34-23-15-33-38(17-23)18-24-16-28-7-12-39-24;/h1-3,5-6,8-9,17-19,21,25,30H,4,7,10-16,20H2;2-10,16-17,20,25,38H,11-15,18-19H2,1H3,(H,32,33,34,35);2-6,16-18,20-21,23H,7-15,19H2,1H3,(H,31,32,34,35);2-6,13-15,17,19,24,28H,1,7-12,16,18H2,(H,31,32,34,35);1H4/t25-;;;24-;/m0..0./s1
• InChIKey: KBVLUVFBEUCLCD-XMNMMNDYSA-N
• XLogP: 11.56
• TPSA: 443.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 43
• Rotatable Bonds: 32
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2115.60
LogP ≤ 5	11.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[[6-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]methyl]-1,3,5-triazine;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-(3-methyloxetan-3-yl)methanol;methane;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylethenyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine?

The IUPAC name of 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[[6-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]methyl]-1,3,5-triazine;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-(3-methyloxetan-3-yl)methanol;methane;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylethenyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine (CID 159089194) is 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[[6-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]methyl]-1,3,5-triazine;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-(3-methyloxetan-3-yl)methanol;methane;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylethenyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine.

What is the SMILES notation for 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[[6-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]methyl]-1,3,5-triazine;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-(3-methyloxetan-3-yl)methanol;methane;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylethenyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine?

The canonical SMILES for 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[[6-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]methyl]-1,3,5-triazine;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-(3-methyloxetan-3-yl)methanol;methane;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylethenyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine is C.C=C(c1ccccc1)c1cnc(N2CCN(c3ncnc(Nc4cnn(C[C@@H]5CNCCO5)c4)n3)CC2)nc1.CC1(C(O)c2ccc(Nc3ncnc(N4CCN(c5ncc(Cc6ccccc6)cn5)CC4)n3)cc2)COC1.CN1CCC(Cn2cc(Nc3ncnc(N4CCN(c5ncc(Cc6ccccc6)cn5)CC4)n3)cn2)CC1.c1ccc(Cc2cnc(N3CCN(c4ncnc(Cc5ccc(O[C@H]6CCCNC6)nc5)n4)CC3)nc2)cc1.

What is the InChIKey of 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[[6-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]methyl]-1,3,5-triazine;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-(3-methyloxetan-3-yl)methanol;methane;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylethenyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine?

The InChIKey is KBVLUVFBEUCLCD-XMNMMNDYSA-N. The full InChI is InChI=1S/C29H33N9O.C29H32N8O2.C28H35N11.C27H31N11O.CH4/c1-2-5-22(6-3-1)15-24-18-32-28(33-19-24)37-11-13-38(14-12-37)29-35-21-34-26(36-29)16-23-8-9-27(31-17-23)39-25-7-4-10-30-20-25;1-29(18-39-19-29)25(38)23-7-9-24(10-8-23)34-26-32-20-33-28(35-26)37-13-11-36(12-14-37)27-30-16-22(17-31-27)15-21-5-3-2-4-6-21;1-36-9-7-23(8-10-36)19-39-20-25(18-33-39)34-26-31-21-32-28(35-26)38-13-11-37(12-14-38)27-29-16-24(17-30-27)15-22-5-3-2-4-6-22;1-20(21-5-3-2-4-6-21)22-13-29-26(30-14-22)36-8-10-37(11-9-36)27-32-19-31-25(35-27)34-23-15-33-38(17-23)18-24-16-28-7-12-39-24;/h1-3,5-6,8-9,17-19,21,25,30H,4,7,10-16,20H2;2-10,16-17,20,25,38H,11-15,18-19H2,1H3,(H,32,33,34,35);2-6,16-18,20-21,23H,7-15,19H2,1H3,(H,31,32,34,35);2-6,13-15,17,19,24,28H,1,7-12,16,18H2,(H,31,32,34,35);1H4/t25-;;;24-;/m0..0./s1.

What are the key properties of 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[[6-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]methyl]-1,3,5-triazine;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-(3-methyloxetan-3-yl)methanol;methane;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylethenyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine?

4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[[6-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]methyl]-1,3,5-triazine;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-(3-methyloxetan-3-yl)methanol;methane;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylethenyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 2115.60 g/mol, XLogP of 11.56, 32 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[[6-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]methyl]-1,3,5-triazine;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-(3-methyloxetan-3-yl)methanol;methane;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylethenyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 159089194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).