4-[4-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine

C80H94F3N33O3S — CID 157484791

About 4-[4-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine

4-[4-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine (PubChem CID 157484791) has the molecular formula C80H94F3N33O3S and a molecular weight of 1654.92 g/mol. Its IUPAC name is 4-[4-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: 4-[4-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine
• PubChem CID: 157484791
• Molecular Formula: C80H94F3N33O3S
• Molecular Weight: 1654.92 g/mol
• Exact Mass: 1653.79
• IUPAC Name: 4-[4-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine
• SMILES: Cc1c(Nc2ncnc(N3CCN(c4ncc(Cc5ccc(F)cc5)cn4)CC3)n2)cnn1C[C@@H]1CNCCO1.Cc1c(Nc2ncnc(N3CCN(c4ncc(Cc5ccccc5F)cn4)CC3)n2)cnn1C[C@@H]1CNCCO1.Cc1c(Nc2ncnc(N3CCN(c4ncc(Sc5ccc(F)cc5)cn4)CC3)n2)cnn1C[C@@H]1CNCCO1
• InChI: InChI=1S/2C27H32FN11O.C26H30FN11OS/c1-19-24(16-34-39(19)17-23-15-29-6-11-40-23)35-25-32-18-33-27(36-25)38-9-7-37(8-10-38)26-30-13-21(14-31-26)12-20-2-4-22(28)5-3-20;1-19-24(16-34-39(19)17-22-15-29-6-11-40-22)35-25-32-18-33-27(36-25)38-9-7-37(8-10-38)26-30-13-20(14-31-26)12-21-4-2-3-5-23(21)28;1-18-23(15-33-38(18)16-20-12-28-6-11-39-20)34-24-31-17-32-26(35-24)37-9-7-36(8-10-37)25-29-13-22(14-30-25)40-21-4-2-19(27)3-5-21/h2-5,13-14,16,18,23,29H,6-12,15,17H2,1H3,(H,32,33,35,36);2-5,13-14,16,18,22,29H,6-12,15,17H2,1H3,(H,32,33,35,36);2-5,13-15,17,20,28H,6-12,16H2,1H3,(H,31,32,34,35)/t23-;22-;20-/m000/s1
• InChIKey: BWOUEQWYACHOBS-BSNZPALUSA-N
• XLogP: 6.43
• TPSA: 366.12 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 24
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1654.92
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine?

The IUPAC name of 4-[4-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine (CID 157484791) is 4-[4-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine.

What is the SMILES notation for 4-[4-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine?

The canonical SMILES for 4-[4-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine is Cc1c(Nc2ncnc(N3CCN(c4ncc(Cc5ccc(F)cc5)cn4)CC3)n2)cnn1C[C@@H]1CNCCO1.Cc1c(Nc2ncnc(N3CCN(c4ncc(Cc5ccccc5F)cn4)CC3)n2)cnn1C[C@@H]1CNCCO1.Cc1c(Nc2ncnc(N3CCN(c4ncc(Sc5ccc(F)cc5)cn4)CC3)n2)cnn1C[C@@H]1CNCCO1.

What is the InChIKey of 4-[4-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine?

The InChIKey is BWOUEQWYACHOBS-BSNZPALUSA-N. The full InChI is InChI=1S/2C27H32FN11O.C26H30FN11OS/c1-19-24(16-34-39(19)17-23-15-29-6-11-40-23)35-25-32-18-33-27(36-25)38-9-7-37(8-10-38)26-30-13-21(14-31-26)12-20-2-4-22(28)5-3-20;1-19-24(16-34-39(19)17-22-15-29-6-11-40-22)35-25-32-18-33-27(36-25)38-9-7-37(8-10-38)26-30-13-20(14-31-26)12-21-4-2-3-5-23(21)28;1-18-23(15-33-38(18)16-20-12-28-6-11-39-20)34-24-31-17-32-26(35-24)37-9-7-36(8-10-37)25-29-13-22(14-30-25)40-21-4-2-19(27)3-5-21/h2-5,13-14,16,18,23,29H,6-12,15,17H2,1H3,(H,32,33,35,36);2-5,13-14,16,18,22,29H,6-12,15,17H2,1H3,(H,32,33,35,36);2-5,13-15,17,20,28H,6-12,16H2,1H3,(H,31,32,34,35)/t23-;22-;20-/m000/s1.

What are the key properties of 4-[4-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine?

4-[4-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine has a molecular weight of 1654.92 g/mol, XLogP of 6.43, 24 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[5-methyl-1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 157484791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).