4-[4-(5-anilinopyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;N-[4-[4-[5-[(2,3-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[4-[4-[5-[(2,6-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine

C105H114F4N40O3 — CID 159805119

About 4-[4-(5-anilinopyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;N-[4-[4-[5-[(2,3-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[4-[4-[5-[(2,6-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine

4-[4-(5-anilinopyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;N-[4-[4-[5-[(2,3-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[4-[4-[5-[(2,6-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine (PubChem CID 159805119) has the molecular formula C105H114F4N40O3 and a molecular weight of 2060.34 g/mol. Its IUPAC name is 4-[4-(5-anilinopyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;N-[4-[4-[5-[(2,3-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[4-[4-[5-[(2,6-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine.

Molecular Properties

• Compound Name: 4-[4-(5-anilinopyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;N-[4-[4-[5-[(2,3-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[4-[4-[5-[(2,6-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine
• PubChem CID: 159805119
• Molecular Formula: C105H114F4N40O3
• Molecular Weight: 2060.34 g/mol
• Exact Mass: 2058.99
• IUPAC Name: 4-[4-(5-anilinopyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;N-[4-[4-[5-[(2,3-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[4-[4-[5-[(2,6-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine
• SMILES: Fc1cccc(Cc2cnc(N3CCN(c4ncnc(Nc5ccc6c(c5)CNCC6)n4)CC3)nc2)c1F.Fc1cccc(F)c1Cc1cnc(N2CCN(c3ncnc(Nc4ccc5c(c4)CNCC5)n3)CC2)nc1.c1ccc(Cc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6COCCO6)c5)n4)CC3)nc2)cc1.c1ccc(Nc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nc2)cc1
• InChI: InChI=1S/2C27H27F2N9.C26H30N10O2.C25H30N12O/c28-23-2-1-3-24(29)22(23)12-18-14-31-26(32-15-18)37-8-10-38(11-9-37)27-34-17-33-25(36-27)35-21-5-4-19-6-7-30-16-20(19)13-21;28-23-3-1-2-20(24(23)29)12-18-14-31-26(32-15-18)37-8-10-38(11-9-37)27-34-17-33-25(36-27)35-22-5-4-19-6-7-30-16-21(19)13-22;1-2-4-20(5-3-1)12-21-13-27-25(28-14-21)34-6-8-35(9-7-34)26-30-19-29-24(33-26)32-22-15-31-36(16-22)17-23-18-37-10-11-38-23;1-2-4-19(5-3-1)32-20-12-27-24(28-13-20)35-7-9-36(10-8-35)25-30-18-29-23(34-25)33-21-14-31-37(16-21)17-22-15-26-6-11-38-22/h2*1-5,13-15,17,30H,6-12,16H2,(H,33,34,35,36);1-5,13-16,19,23H,6-12,17-18H2,(H,29,30,32,33);1-5,12-14,16,18,22,26,32H,6-11,15,17H2,(H,29,30,33,34)/t;;23-;22-/m..10/s1
• InChIKey: NKHGPPPPYNPYTO-RVZCDALPSA-N
• XLogP: 10.09
• TPSA: 443.29 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 43
• Rotatable Bonds: 28
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2060.34
LogP ≤ 5	10.09
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-anilinopyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;N-[4-[4-[5-[(2,3-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[4-[4-[5-[(2,6-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine?

The IUPAC name of 4-[4-(5-anilinopyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;N-[4-[4-[5-[(2,3-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[4-[4-[5-[(2,6-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine (CID 159805119) is 4-[4-(5-anilinopyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;N-[4-[4-[5-[(2,3-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[4-[4-[5-[(2,6-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine.

What is the SMILES notation for 4-[4-(5-anilinopyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;N-[4-[4-[5-[(2,3-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[4-[4-[5-[(2,6-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine?

The canonical SMILES for 4-[4-(5-anilinopyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;N-[4-[4-[5-[(2,3-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[4-[4-[5-[(2,6-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine is Fc1cccc(Cc2cnc(N3CCN(c4ncnc(Nc5ccc6c(c5)CNCC6)n4)CC3)nc2)c1F.Fc1cccc(F)c1Cc1cnc(N2CCN(c3ncnc(Nc4ccc5c(c4)CNCC5)n3)CC2)nc1.c1ccc(Cc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6COCCO6)c5)n4)CC3)nc2)cc1.c1ccc(Nc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nc2)cc1.

What is the InChIKey of 4-[4-(5-anilinopyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;N-[4-[4-[5-[(2,3-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[4-[4-[5-[(2,6-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine?

The InChIKey is NKHGPPPPYNPYTO-RVZCDALPSA-N. The full InChI is InChI=1S/2C27H27F2N9.C26H30N10O2.C25H30N12O/c28-23-2-1-3-24(29)22(23)12-18-14-31-26(32-15-18)37-8-10-38(11-9-37)27-34-17-33-25(36-27)35-21-5-4-19-6-7-30-16-20(19)13-21;28-23-3-1-2-20(24(23)29)12-18-14-31-26(32-15-18)37-8-10-38(11-9-37)27-34-17-33-25(36-27)35-22-5-4-19-6-7-30-16-21(19)13-22;1-2-4-20(5-3-1)12-21-13-27-25(28-14-21)34-6-8-35(9-7-34)26-30-19-29-24(33-26)32-22-15-31-36(16-22)17-23-18-37-10-11-38-23;1-2-4-19(5-3-1)32-20-12-27-24(28-13-20)35-7-9-36(10-8-35)25-30-18-29-23(34-25)33-21-14-31-37(16-21)17-22-15-26-6-11-38-22/h2*1-5,13-15,17,30H,6-12,16H2,(H,33,34,35,36);1-5,13-16,19,23H,6-12,17-18H2,(H,29,30,32,33);1-5,12-14,16,18,22,26,32H,6-11,15,17H2,(H,29,30,33,34)/t;;23-;22-/m..10/s1.

What are the key properties of 4-[4-(5-anilinopyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;N-[4-[4-[5-[(2,3-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[4-[4-[5-[(2,6-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine?

4-[4-(5-anilinopyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;N-[4-[4-[5-[(2,3-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[4-[4-[5-[(2,6-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine has a molecular weight of 2060.34 g/mol, XLogP of 10.09, 28 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(5-anilinopyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-1,4-dioxan-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;N-[4-[4-[5-[(2,3-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[4-[4-[5-[(2,6-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine is sourced from PubChem (CID 159805119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).