(2S,6R)-2,6-dimethyl-4-[6-[6-[(3S)-oxolan-3-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;[(3S)-1-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine

C109H117F7N24O11S — CID 160898868

About (2S,6R)-2,6-dimethyl-4-[6-[6-[(3S)-oxolan-3-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;[(3S)-1-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine

(2S,6R)-2,6-dimethyl-4-[6-[6-[(3S)-oxolan-3-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;[(3S)-1-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine (PubChem CID 160898868) has the molecular formula C109H117F7N24O11S and a molecular weight of 2104.34 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-[6-[6-[(3S)-oxolan-3-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;[(3S)-1-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine.

Molecular Properties

• Compound Name: (2S,6R)-2,6-dimethyl-4-[6-[6-[(3S)-oxolan-3-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;[(3S)-1-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine
• PubChem CID: 160898868
• Molecular Formula: C109H117F7N24O11S
• Molecular Weight: 2104.34 g/mol
• Exact Mass: 2102.89
• IUPAC Name: (2S,6R)-2,6-dimethyl-4-[6-[6-[(3S)-oxolan-3-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;[(3S)-1-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine
• SMILES: CC1(Oc2cc3c(cc2F)CN=C3c2cc(N3CCN(C4CCS(=O)(=O)C4)CC3)ncn2)CC1.CC1(Oc2cc3c(cc2F)CN=C3c2cc(N3CCOC(C(F)(F)F)C3)ncn2)CC1.CC1(Oc2cc3c(cc2F)CN=C3c2cc(N3CC[C@H](CO)C3)ncn2)CC1.CC1(Oc2cc3c(cc2F)CN=C3c2cc(N3CCn4ncnc4C3)ncn2)CC1.C[C@@H]1CN(c2cc(C3=NCc4ccc(O[C@H]5CCOC5)cc43)ncn2)C[C@H](C)O1
• InChI: InChI=1S/C24H28FN5O3S.C22H26N4O3.C21H20F4N4O2.C21H20FN7O.C21H23FN4O2/c1-24(3-4-24)33-21-11-18-16(10-19(21)25)13-26-23(18)20-12-22(28-15-27-20)30-7-5-29(6-8-30)17-2-9-34(31,32)14-17;1-14-10-26(11-15(2)28-14)21-8-20(24-13-25-21)22-19-7-17(4-3-16(19)9-23-22)29-18-5-6-27-12-18;1-20(2-3-20)31-16-7-13-12(6-14(16)22)9-26-19(13)15-8-18(28-11-27-15)29-4-5-30-17(10-29)21(23,24)25;1-21(2-3-21)30-17-7-14-13(6-15(17)22)9-23-20(14)16-8-18(25-11-24-16)28-4-5-29-19(10-28)26-12-27-29;1-21(3-4-21)28-18-7-15-14(6-16(18)22)9-23-20(15)17-8-19(25-12-24-17)26-5-2-13(10-26)11-27/h10-12,15,17H,2-9,13-14H2,1H3;3-4,7-8,13-15,18H,5-6,9-12H2,1-2H3;6-8,11,17H,2-5,9-10H2,1H3;6-8,11-12H,2-5,9-10H2,1H3;6-8,12-13,27H,2-5,9-11H2,1H3/t;14-,15+,18-;;;13-/m.0..0/s1
• InChIKey: SPFVDDLRGHEYKB-QCLDWDOXSA-N
• XLogP: 13.71
• TPSA: 369.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2104.34
LogP ≤ 5	13.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-[6-[6-[(3S)-oxolan-3-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;[(3S)-1-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine?

The IUPAC name of (2S,6R)-2,6-dimethyl-4-[6-[6-[(3S)-oxolan-3-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;[(3S)-1-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine (CID 160898868) is (2S,6R)-2,6-dimethyl-4-[6-[6-[(3S)-oxolan-3-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;[(3S)-1-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine.

What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-[6-[6-[(3S)-oxolan-3-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;[(3S)-1-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine?

The canonical SMILES for (2S,6R)-2,6-dimethyl-4-[6-[6-[(3S)-oxolan-3-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;[(3S)-1-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine is CC1(Oc2cc3c(cc2F)CN=C3c2cc(N3CCN(C4CCS(=O)(=O)C4)CC3)ncn2)CC1.CC1(Oc2cc3c(cc2F)CN=C3c2cc(N3CCOC(C(F)(F)F)C3)ncn2)CC1.CC1(Oc2cc3c(cc2F)CN=C3c2cc(N3CC[C@H](CO)C3)ncn2)CC1.CC1(Oc2cc3c(cc2F)CN=C3c2cc(N3CCn4ncnc4C3)ncn2)CC1.C[C@@H]1CN(c2cc(C3=NCc4ccc(O[C@H]5CCOC5)cc43)ncn2)C[C@H](C)O1.

What is the InChIKey of (2S,6R)-2,6-dimethyl-4-[6-[6-[(3S)-oxolan-3-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;[(3S)-1-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine?

The InChIKey is SPFVDDLRGHEYKB-QCLDWDOXSA-N. The full InChI is InChI=1S/C24H28FN5O3S.C22H26N4O3.C21H20F4N4O2.C21H20FN7O.C21H23FN4O2/c1-24(3-4-24)33-21-11-18-16(10-19(21)25)13-26-23(18)20-12-22(28-15-27-20)30-7-5-29(6-8-30)17-2-9-34(31,32)14-17;1-14-10-26(11-15(2)28-14)21-8-20(24-13-25-21)22-19-7-17(4-3-16(19)9-23-22)29-18-5-6-27-12-18;1-20(2-3-20)31-16-7-13-12(6-14(16)22)9-26-19(13)15-8-18(28-11-27-15)29-4-5-30-17(10-29)21(23,24)25;1-21(2-3-21)30-17-7-14-13(6-15(17)22)9-23-20(14)16-8-18(25-11-24-16)28-4-5-29-19(10-28)26-12-27-29;1-21(3-4-21)28-18-7-15-14(6-16(18)22)9-23-20(15)17-8-19(25-12-24-17)26-5-2-13(10-26)11-27/h10-12,15,17H,2-9,13-14H2,1H3;3-4,7-8,13-15,18H,5-6,9-12H2,1-2H3;6-8,11,17H,2-5,9-10H2,1H3;6-8,11-12H,2-5,9-10H2,1H3;6-8,12-13,27H,2-5,9-11H2,1H3/t;14-,15+,18-;;;13-/m.0..0/s1.

What are the key properties of (2S,6R)-2,6-dimethyl-4-[6-[6-[(3S)-oxolan-3-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;[(3S)-1-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine?

(2S,6R)-2,6-dimethyl-4-[6-[6-[(3S)-oxolan-3-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;[(3S)-1-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine has a molecular weight of 2104.34 g/mol, XLogP of 13.71, 22 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,6R)-2,6-dimethyl-4-[6-[6-[(3S)-oxolan-3-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;[(3S)-1-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 160898868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).