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

C102H112F4N40O6S2 — CID 159324465

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

4-[4-[5-(2-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(2S)-1-[4-[[4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]anilino]propan-2-ol;(2R)-1-[4-[[4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]anilino]propan-2-ol (PubChem CID 159324465) has the molecular formula C102H112F4N40O6S2 and a molecular weight of 2134.42 g/mol. Its IUPAC name is 4-[4-[5-(2-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(2S)-1-[4-[[4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]anilino]propan-2-ol;(2R)-1-[4-[[4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]anilino]propan-2-ol.

Molecular Properties

• Compound Name: 4-[4-[5-(2-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(2S)-1-[4-[[4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]anilino]propan-2-ol;(2R)-1-[4-[[4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]anilino]propan-2-ol
• PubChem CID: 159324465
• Molecular Formula: C102H112F4N40O6S2
• Molecular Weight: 2134.42 g/mol
• Exact Mass: 2132.91
• IUPAC Name: 4-[4-[5-(2-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(2S)-1-[4-[[4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]anilino]propan-2-ol;(2R)-1-[4-[[4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]anilino]propan-2-ol
• SMILES: C[C@@H](O)CNc1ccc(Nc2ncnc(N3CCN(c4ncc(Sc5ccccc5F)cn4)CC3)n2)cc1.C[C@H](O)CNc1ccc(Nc2ncnc(N3CCN(c4ncc(Sc5ccccc5F)cn4)CC3)n2)cc1.Fc1cccc(Oc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nc2)c1.Fc1ccccc1Oc1cnc(N2CCN(c3ncnc(Nc4cnn(C[C@@H]5CNCCO5)c4)n3)CC2)nc1
• InChI: InChI=1S/2C26H28FN9OS.2C25H28FN11O2/c2*1-18(37)14-28-19-6-8-20(9-7-19)33-24-31-17-32-26(34-24)36-12-10-35(11-13-36)25-29-15-21(16-30-25)38-23-5-3-2-4-22(23)27;26-18-2-1-3-20(10-18)39-21-13-28-24(29-14-21)35-5-7-36(8-6-35)25-31-17-30-23(34-25)33-19-11-32-37(15-19)16-22-12-27-4-9-38-22;26-21-3-1-2-4-22(21)39-19-13-28-24(29-14-19)35-6-8-36(9-7-35)25-31-17-30-23(34-25)33-18-11-32-37(15-18)16-20-12-27-5-10-38-20/h2*2-9,15-18,28,37H,10-14H2,1H3,(H,31,32,33,34);1-3,10-11,13-15,17,22,27H,4-9,12,16H2,(H,30,31,33,34);1-4,11,13-15,17,20,27H,5-10,12,16H2,(H,30,31,33,34)/t2*18-;22-;20-/m1000/s1
• InChIKey: LEEJYKPLACNQTF-BPABDOHQSA-N
• XLogP: 11.33
• TPSA: 492.98 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 48
• Rotatable Bonds: 34
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2134.42
LogP ≤ 5	11.33
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

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

The IUPAC name of 4-[4-[5-(2-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(2S)-1-[4-[[4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]anilino]propan-2-ol;(2R)-1-[4-[[4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]anilino]propan-2-ol (CID 159324465) is 4-[4-[5-(2-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(2S)-1-[4-[[4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]anilino]propan-2-ol;(2R)-1-[4-[[4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]anilino]propan-2-ol.

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

The canonical SMILES for 4-[4-[5-(2-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(2S)-1-[4-[[4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]anilino]propan-2-ol;(2R)-1-[4-[[4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]anilino]propan-2-ol is C[C@@H](O)CNc1ccc(Nc2ncnc(N3CCN(c4ncc(Sc5ccccc5F)cn4)CC3)n2)cc1.C[C@H](O)CNc1ccc(Nc2ncnc(N3CCN(c4ncc(Sc5ccccc5F)cn4)CC3)n2)cc1.Fc1cccc(Oc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nc2)c1.Fc1ccccc1Oc1cnc(N2CCN(c3ncnc(Nc4cnn(C[C@@H]5CNCCO5)c4)n3)CC2)nc1.

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

The InChIKey is LEEJYKPLACNQTF-BPABDOHQSA-N. The full InChI is InChI=1S/2C26H28FN9OS.2C25H28FN11O2/c2*1-18(37)14-28-19-6-8-20(9-7-19)33-24-31-17-32-26(34-24)36-12-10-35(11-13-36)25-29-15-21(16-30-25)38-23-5-3-2-4-22(23)27;26-18-2-1-3-20(10-18)39-21-13-28-24(29-14-21)35-5-7-36(8-6-35)25-31-17-30-23(34-25)33-19-11-32-37(15-19)16-22-12-27-4-9-38-22;26-21-3-1-2-4-22(21)39-19-13-28-24(29-14-19)35-6-8-36(9-7-35)25-31-17-30-23(34-25)33-18-11-32-37(15-18)16-20-12-27-5-10-38-20/h2*2-9,15-18,28,37H,10-14H2,1H3,(H,31,32,33,34);1-3,10-11,13-15,17,22,27H,4-9,12,16H2,(H,30,31,33,34);1-4,11,13-15,17,20,27H,5-10,12,16H2,(H,30,31,33,34)/t2*18-;22-;20-/m1000/s1.

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

4-[4-[5-(2-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(2S)-1-[4-[[4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]anilino]propan-2-ol;(2R)-1-[4-[[4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]anilino]propan-2-ol has a molecular weight of 2134.42 g/mol, XLogP of 11.33, 34 rotatable bonds, 10 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[5-(2-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(2S)-1-[4-[[4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]anilino]propan-2-ol;(2R)-1-[4-[[4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]anilino]propan-2-ol is sourced from PubChem (CID 159324465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).