5-benzyl-2-[4-[4-[[1-(piperidin-4-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1H-pyrimidin-6-one;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]methyl]piperidin-4-ol

C108H132N44O4 — CID 161383011

About 5-benzyl-2-[4-[4-[[1-(piperidin-4-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1H-pyrimidin-6-one;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]methyl]piperidin-4-ol

5-benzyl-2-[4-[4-[[1-(piperidin-4-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1H-pyrimidin-6-one;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]methyl]piperidin-4-ol (PubChem CID 161383011) has the molecular formula C108H132N44O4 and a molecular weight of 2110.55 g/mol. Its IUPAC name is 5-benzyl-2-[4-[4-[[1-(piperidin-4-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1H-pyrimidin-6-one;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]methyl]piperidin-4-ol.

Molecular Properties

• Compound Name: 5-benzyl-2-[4-[4-[[1-(piperidin-4-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1H-pyrimidin-6-one;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]methyl]piperidin-4-ol
• PubChem CID: 161383011
• Molecular Formula: C108H132N44O4
• Molecular Weight: 2110.55 g/mol
• Exact Mass: 2109.15
• IUPAC Name: 5-benzyl-2-[4-[4-[[1-(piperidin-4-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1H-pyrimidin-6-one;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]methyl]piperidin-4-ol
• SMILES: CN1CCO[C@@H](Cn2cc(Nc3ncnc(N4CCN(c5ncc(Cc6ccccc6)cn5)CC4)n3)cn2)C1.CN1CCO[C@H](Cn2cc(Nc3ncnc(N4CCN(c5ncc(Cc6ccccc6)cn5)CC4)n3)cn2)C1.O=c1[nH]c(N2CCN(c3ncnc(Nc4cnn(CC5CCNCC5)c4)n3)CC2)ncc1Cc1ccccc1.OC1(Cn2cc(Nc3ncnc(N4CCN(c5ncc(Cc6ccccc6)cn5)CC4)n3)cn2)CCNCC1
• InChI: InChI=1S/4C27H33N11O/c2*1-35-11-12-39-24(18-35)19-38-17-23(16-32-38)33-25-30-20-31-27(34-25)37-9-7-36(8-10-37)26-28-14-22(15-29-26)13-21-5-3-2-4-6-21;39-27(6-8-28-9-7-27)19-38-18-23(17-33-38)34-24-31-20-32-26(35-24)37-12-10-36(11-13-37)25-29-15-22(16-30-25)14-21-4-2-1-3-5-21;39-24-22(14-20-4-2-1-3-5-20)15-29-26(34-24)36-10-12-37(13-11-36)27-31-19-30-25(35-27)33-23-16-32-38(18-23)17-21-6-8-28-9-7-21/h2*2-6,14-17,20,24H,7-13,18-19H2,1H3,(H,30,31,33,34);1-5,15-18,20,28,39H,6-14,19H2,(H,31,32,34,35);1-5,15-16,18-19,21,28H,6-14,17H2,(H,29,34,39)(H,30,31,33,35)/t2*24-;;/m10../s1
• InChIKey: VRYVDGMHOYZLEH-YYISUBIMSA-N
• XLogP: 7.14
• TPSA: 492.32 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 47
• Rotatable Bonds: 32
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2110.55
LogP ≤ 5	7.14
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-[4-[4-[[1-(piperidin-4-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1H-pyrimidin-6-one;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]methyl]piperidin-4-ol?

The IUPAC name of 5-benzyl-2-[4-[4-[[1-(piperidin-4-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1H-pyrimidin-6-one;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]methyl]piperidin-4-ol (CID 161383011) is 5-benzyl-2-[4-[4-[[1-(piperidin-4-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1H-pyrimidin-6-one;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]methyl]piperidin-4-ol.

What is the SMILES notation for 5-benzyl-2-[4-[4-[[1-(piperidin-4-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1H-pyrimidin-6-one;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]methyl]piperidin-4-ol?

The canonical SMILES for 5-benzyl-2-[4-[4-[[1-(piperidin-4-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1H-pyrimidin-6-one;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]methyl]piperidin-4-ol is CN1CCO[C@@H](Cn2cc(Nc3ncnc(N4CCN(c5ncc(Cc6ccccc6)cn5)CC4)n3)cn2)C1.CN1CCO[C@H](Cn2cc(Nc3ncnc(N4CCN(c5ncc(Cc6ccccc6)cn5)CC4)n3)cn2)C1.O=c1[nH]c(N2CCN(c3ncnc(Nc4cnn(CC5CCNCC5)c4)n3)CC2)ncc1Cc1ccccc1.OC1(Cn2cc(Nc3ncnc(N4CCN(c5ncc(Cc6ccccc6)cn5)CC4)n3)cn2)CCNCC1.

What is the InChIKey of 5-benzyl-2-[4-[4-[[1-(piperidin-4-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1H-pyrimidin-6-one;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]methyl]piperidin-4-ol?

The InChIKey is VRYVDGMHOYZLEH-YYISUBIMSA-N. The full InChI is InChI=1S/4C27H33N11O/c2*1-35-11-12-39-24(18-35)19-38-17-23(16-32-38)33-25-30-20-31-27(34-25)37-9-7-36(8-10-37)26-28-14-22(15-29-26)13-21-5-3-2-4-6-21;39-27(6-8-28-9-7-27)19-38-18-23(17-33-38)34-24-31-20-32-26(35-24)37-12-10-36(11-13-37)25-29-15-22(16-30-25)14-21-4-2-1-3-5-21;39-24-22(14-20-4-2-1-3-5-20)15-29-26(34-24)36-10-12-37(13-11-36)27-31-19-30-25(35-27)33-23-16-32-38(18-23)17-21-6-8-28-9-7-21/h2*2-6,14-17,20,24H,7-13,18-19H2,1H3,(H,30,31,33,34);1-5,15-18,20,28,39H,6-14,19H2,(H,31,32,34,35);1-5,15-16,18-19,21,28H,6-14,17H2,(H,29,34,39)(H,30,31,33,35)/t2*24-;;/m10../s1.

What are the key properties of 5-benzyl-2-[4-[4-[[1-(piperidin-4-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1H-pyrimidin-6-one;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]methyl]piperidin-4-ol?

5-benzyl-2-[4-[4-[[1-(piperidin-4-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1H-pyrimidin-6-one;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]methyl]piperidin-4-ol has a molecular weight of 2110.55 g/mol, XLogP of 7.14, 32 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-2-[4-[4-[[1-(piperidin-4-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1H-pyrimidin-6-one;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 161383011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).