[1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C83H102F4N36O8 — CID 161037272

About [1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 161037272) has the molecular formula C83H102F4N36O8 and a molecular weight of 1807.96 g/mol. Its IUPAC name is [1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: [1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
• PubChem CID: 161037272
• Molecular Formula: C83H102F4N36O8
• Molecular Weight: 1807.96 g/mol
• Exact Mass: 1806.86
• IUPAC Name: [1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
• SMILES: Nc1nc(Nc2ccc(N3CCOCC3)cc2F)nn1-c1cc(N2CCC[C@@H]2CO)ncn1.Nc1nc(Nc2ccc(N3CCOCC3)cc2F)nn1-c1cc(N2CC[C@@H](O)C2)ncn1.Nc1nc(Nc2ccc(N3CCOCC3)cc2F)nn1-c1cc(N2CC[C@H](O)C2)ncn1.Nc1nc(Nc2ccc(N3CCOCC3)cc2F)nn1-c1cc(NC2(CO)CCCC2)ncn1
• InChI: InChI=1S/C22H28FN9O2.C21H26FN9O2.2C20H24FN9O2/c23-16-11-15(31-7-9-34-10-8-31)3-4-17(16)27-21-28-20(24)32(30-21)19-12-18(25-14-26-19)29-22(13-33)5-1-2-6-22;22-16-10-14(29-6-8-33-9-7-29)3-4-17(16)26-21-27-20(23)31(28-21)19-11-18(24-13-25-19)30-5-1-2-15(30)12-32;2*21-15-9-13(28-5-7-32-8-6-28)1-2-16(15)25-20-26-19(22)30(27-20)18-10-17(23-12-24-18)29-4-3-14(31)11-29/h3-4,11-12,14,33H,1-2,5-10,13H2,(H,25,26,29)(H3,24,27,28,30);3-4,10-11,13,15,32H,1-2,5-9,12H2,(H3,23,26,27,28);2*1-2,9-10,12,14,31H,3-8,11H2,(H3,22,25,26,27)/t;15-;2*14-/m.110/s1
• InChIKey: UAKLRVALRMGYNF-ABVJXPCBSA-N
• XLogP: 5.26
• TPSA: 530.71 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 44
• Rotatable Bonds: 23
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1807.96
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of [1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?

The IUPAC name of [1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 161037272) is [1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

What is the SMILES notation for [1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?

The canonical SMILES for [1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is Nc1nc(Nc2ccc(N3CCOCC3)cc2F)nn1-c1cc(N2CCC[C@@H]2CO)ncn1.Nc1nc(Nc2ccc(N3CCOCC3)cc2F)nn1-c1cc(N2CC[C@@H](O)C2)ncn1.Nc1nc(Nc2ccc(N3CCOCC3)cc2F)nn1-c1cc(N2CC[C@H](O)C2)ncn1.Nc1nc(Nc2ccc(N3CCOCC3)cc2F)nn1-c1cc(NC2(CO)CCCC2)ncn1.

What is the InChIKey of [1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?

The InChIKey is UAKLRVALRMGYNF-ABVJXPCBSA-N. The full InChI is InChI=1S/C22H28FN9O2.C21H26FN9O2.2C20H24FN9O2/c23-16-11-15(31-7-9-34-10-8-31)3-4-17(16)27-21-28-20(24)32(30-21)19-12-18(25-14-26-19)29-22(13-33)5-1-2-6-22;22-16-10-14(29-6-8-33-9-7-29)3-4-17(16)26-21-27-20(23)31(28-21)19-11-18(24-13-25-19)30-5-1-2-15(30)12-32;2*21-15-9-13(28-5-7-32-8-6-28)1-2-16(15)25-20-26-19(22)30(27-20)18-10-17(23-12-24-18)29-4-3-14(31)11-29/h3-4,11-12,14,33H,1-2,5-10,13H2,(H,25,26,29)(H3,24,27,28,30);3-4,10-11,13,15,32H,1-2,5-9,12H2,(H3,23,26,27,28);2*1-2,9-10,12,14,31H,3-8,11H2,(H3,22,25,26,27)/t;15-;2*14-/m.110/s1.

What are the key properties of [1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?

[1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 1807.96 g/mol, XLogP of 5.26, 23 rotatable bonds, 13 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol;(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 161037272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).