3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine;7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-1,2,3,4-tetrahydroquinoline;N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine

C81H87N27 — CID 161210788

About 3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine;7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-1,2,3,4-tetrahydroquinoline;N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine

3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine;7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-1,2,3,4-tetrahydroquinoline;N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine (PubChem CID 161210788) has the molecular formula C81H87N27 and a molecular weight of 1438.78 g/mol. Its IUPAC name is 3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine;7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-1,2,3,4-tetrahydroquinoline;N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine.

Molecular Properties

• Compound Name: 3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine;7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-1,2,3,4-tetrahydroquinoline;N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine
• PubChem CID: 161210788
• Molecular Formula: C81H87N27
• Molecular Weight: 1438.78 g/mol
• Exact Mass: 1437.76
• IUPAC Name: 3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine;7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-1,2,3,4-tetrahydroquinoline;N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine
• SMILES: c1ccc(Cc2cnc(N3CCN(c4ncnc(Cc5ccc6c(c5)NCCC6)n4)CC3)nc2)cc1.c1ccc(Cc2cnc(N3CCN(c4ncnc(Cc5cnc6c(c5)CNCC6)n4)CC3)nc2)cc1.c1ccc(Cc2cnc(N3CCN(c4ncnc(Nc5ccc6c(c5)CNCC6)n4)CC3)nc2)nc1
• InChI: InChI=1S/C28H30N8.C27H29N9.C26H28N10/c1-2-5-21(6-3-1)15-23-18-30-27(31-19-23)35-11-13-36(14-12-35)28-33-20-32-26(34-28)17-22-8-9-24-7-4-10-29-25(24)16-22;1-2-4-20(5-3-1)12-22-16-30-26(31-17-22)35-8-10-36(11-9-35)27-33-19-32-25(34-27)14-21-13-23-18-28-7-6-24(23)29-15-21;1-2-7-28-22(3-1)13-19-15-29-25(30-16-19)35-9-11-36(12-10-35)26-32-18-31-24(34-26)33-23-5-4-20-6-8-27-17-21(20)14-23/h1-3,5-6,8-9,16,18-20,29H,4,7,10-15,17H2;1-5,13,15-17,19,28H,6-12,14,18H2;1-5,7,14-16,18,27H,6,8-13,17H2,(H,31,32,33,34)
• InChIKey: UWEXCOUNCRLVHE-UHFFFAOYSA-N
• XLogP: 8.10
• TPSA: 286.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1438.78
LogP ≤ 5	8.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine;7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-1,2,3,4-tetrahydroquinoline;N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine?

The IUPAC name of 3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine;7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-1,2,3,4-tetrahydroquinoline;N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine (CID 161210788) is 3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine;7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-1,2,3,4-tetrahydroquinoline;N-[4-[4-[5-(pyridin-2-ylmethyl)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 3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine;7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-1,2,3,4-tetrahydroquinoline;N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine?

The canonical SMILES for 3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine;7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-1,2,3,4-tetrahydroquinoline;N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine is c1ccc(Cc2cnc(N3CCN(c4ncnc(Cc5ccc6c(c5)NCCC6)n4)CC3)nc2)cc1.c1ccc(Cc2cnc(N3CCN(c4ncnc(Cc5cnc6c(c5)CNCC6)n4)CC3)nc2)cc1.c1ccc(Cc2cnc(N3CCN(c4ncnc(Nc5ccc6c(c5)CNCC6)n4)CC3)nc2)nc1.

What is the InChIKey of 3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine;7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-1,2,3,4-tetrahydroquinoline;N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine?

The InChIKey is UWEXCOUNCRLVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8.C27H29N9.C26H28N10/c1-2-5-21(6-3-1)15-23-18-30-27(31-19-23)35-11-13-36(14-12-35)28-33-20-32-26(34-28)17-22-8-9-24-7-4-10-29-25(24)16-22;1-2-4-20(5-3-1)12-22-16-30-26(31-17-22)35-8-10-36(11-9-35)27-33-19-32-25(34-27)14-21-13-23-18-28-7-6-24(23)29-15-21;1-2-7-28-22(3-1)13-19-15-29-25(30-16-19)35-9-11-36(12-10-35)26-32-18-31-24(34-26)33-23-5-4-20-6-8-27-17-21(20)14-23/h1-3,5-6,8-9,16,18-20,29H,4,7,10-15,17H2;1-5,13,15-17,19,28H,6-12,14,18H2;1-5,7,14-16,18,27H,6,8-13,17H2,(H,31,32,33,34).

What are the key properties of 3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine;7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-1,2,3,4-tetrahydroquinoline;N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine?

3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine;7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-1,2,3,4-tetrahydroquinoline;N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine has a molecular weight of 1438.78 g/mol, XLogP of 8.10, 18 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine;7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-1,2,3,4-tetrahydroquinoline;N-[4-[4-[5-(pyridin-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine is sourced from PubChem (CID 161210788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).