N-[3-(aminomethyl)phenyl]-4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3,5-triazine;[3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol

C101H106N32O3 — CID 160784594

About N-[3-(aminomethyl)phenyl]-4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3,5-triazine;[3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol

N-[3-(aminomethyl)phenyl]-4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3,5-triazine;[3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol (PubChem CID 160784594) has the molecular formula C101H106N32O3 and a molecular weight of 1816.18 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3,5-triazine;[3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol.

Molecular Properties

• Compound Name: N-[3-(aminomethyl)phenyl]-4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3,5-triazine;[3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol
• PubChem CID: 160784594
• Molecular Formula: C101H106N32O3
• Molecular Weight: 1816.18 g/mol
• Exact Mass: 1814.91
• IUPAC Name: N-[3-(aminomethyl)phenyl]-4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3,5-triazine;[3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol
• SMILES: COc1cccc(Cc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)n2)c1.NCc1cccc(Nc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)n2)c1.OCc1ccc(Nc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)n2)cc1.OCc1cccc(Nc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)n2)c1
• InChI: InChI=1S/C26H27N7O.C25H27N9.2C25H26N8O/c1-34-23-9-5-8-21(15-23)16-24-29-19-30-26(31-24)33-12-10-32(11-13-33)25-27-17-22(18-28-25)14-20-6-3-2-4-7-20;26-15-20-7-4-8-22(14-20)31-23-29-18-30-25(32-23)34-11-9-33(10-12-34)24-27-16-21(17-28-24)13-19-5-2-1-3-6-19;34-17-20-7-4-8-22(14-20)30-23-28-18-29-25(31-23)33-11-9-32(10-12-33)24-26-15-21(16-27-24)13-19-5-2-1-3-6-19;34-17-20-6-8-22(9-7-20)30-23-28-18-29-25(31-23)33-12-10-32(11-13-33)24-26-15-21(16-27-24)14-19-4-2-1-3-5-19/h2-9,15,17-19H,10-14,16H2,1H3;1-8,14,16-18H,9-13,15,26H2,(H,29,30,31,32);1-8,14-16,18,34H,9-13,17H2,(H,28,29,30,31);1-9,15-16,18,34H,10-14,17H2,(H,28,29,30,31)
• InChIKey: SBASAXYDMNPMAR-UHFFFAOYSA-N
• XLogP: 11.59
• TPSA: 395.52 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 28
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1816.18
LogP ≤ 5	11.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3,5-triazine;[3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol?

The IUPAC name of N-[3-(aminomethyl)phenyl]-4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3,5-triazine;[3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol (CID 160784594) is N-[3-(aminomethyl)phenyl]-4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3,5-triazine;[3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol.

What is the SMILES notation for N-[3-(aminomethyl)phenyl]-4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3,5-triazine;[3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol?

The canonical SMILES for N-[3-(aminomethyl)phenyl]-4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3,5-triazine;[3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol is COc1cccc(Cc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)n2)c1.NCc1cccc(Nc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)n2)c1.OCc1ccc(Nc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)n2)cc1.OCc1cccc(Nc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)n2)c1.

What is the InChIKey of N-[3-(aminomethyl)phenyl]-4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3,5-triazine;[3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol?

The InChIKey is SBASAXYDMNPMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O.C25H27N9.2C25H26N8O/c1-34-23-9-5-8-21(15-23)16-24-29-19-30-26(31-24)33-12-10-32(11-13-33)25-27-17-22(18-28-25)14-20-6-3-2-4-7-20;26-15-20-7-4-8-22(14-20)31-23-29-18-30-25(32-23)34-11-9-33(10-12-34)24-27-16-21(17-28-24)13-19-5-2-1-3-6-19;34-17-20-7-4-8-22(14-20)30-23-28-18-29-25(31-23)33-11-9-32(10-12-33)24-26-15-21(16-27-24)13-19-5-2-1-3-6-19;34-17-20-6-8-22(9-7-20)30-23-28-18-29-25(31-23)33-12-10-32(11-13-33)24-26-15-21(16-27-24)14-19-4-2-1-3-5-19/h2-9,15,17-19H,10-14,16H2,1H3;1-8,14,16-18H,9-13,15,26H2,(H,29,30,31,32);1-8,14-16,18,34H,9-13,17H2,(H,28,29,30,31);1-9,15-16,18,34H,10-14,17H2,(H,28,29,30,31).

What are the key properties of N-[3-(aminomethyl)phenyl]-4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3,5-triazine;[3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol?

N-[3-(aminomethyl)phenyl]-4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3,5-triazine;[3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol has a molecular weight of 1816.18 g/mol, XLogP of 11.59, 28 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(aminomethyl)phenyl]-4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine;2-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3,5-triazine;[3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol;[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]methanol is sourced from PubChem (CID 160784594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).