(2R,6S)-2,6-dimethyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;(2R,6S)-4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;1-(2-fluoroethyl)-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole

C131H153FN28O12S — CID 158283130

About (2R,6S)-2,6-dimethyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;(2R,6S)-4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;1-(2-fluoroethyl)-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole

(2R,6S)-2,6-dimethyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;(2R,6S)-4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;1-(2-fluoroethyl)-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole (PubChem CID 158283130) has the molecular formula C131H153FN28O12S and a molecular weight of 2362.91 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;(2R,6S)-4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;1-(2-fluoroethyl)-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole.

Molecular Properties

• Compound Name: (2R,6S)-2,6-dimethyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;(2R,6S)-4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;1-(2-fluoroethyl)-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
• PubChem CID: 158283130
• Molecular Formula: C131H153FN28O12S
• Molecular Weight: 2362.91 g/mol
• Exact Mass: 2361.19
• IUPAC Name: (2R,6S)-2,6-dimethyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;(2R,6S)-4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;1-(2-fluoroethyl)-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
• SMILES: CC1(Oc2ccc3c(c2)C(c2cc(N4CCN(CCF)C(=O)C4)ncn2)=NC3)CC1.CC1(Oc2ccc3c(c2)C(c2cc(N4CCN(S(C)(=O)=O)CC4)ncn2)=NC3)CC1.CCC1(Oc2ccc3c(c2)C(c2cc(N4CCN(C)C(=O)C4)ncn2)=NC3)CC1.CCC1(Oc2ccc3c(c2)C(c2cc(N4C[C@@H](C)O[C@@H](C)C4)ncn2)=NC3)CC1.CN1CCN(c2cc(C3=NCc4ccc(OC5(C)CC5)cc43)ncn2)CC1.C[C@@H]1CN(c2cc(C3=NCc4ccc(OC5(C)CC5)cc43)ncn2)C[C@H](C)O1
• InChI: InChI=1S/C23H28N4O2.C22H24FN5O2.C22H25N5O2.C22H26N4O2.C21H25N5O3S.C21H25N5O/c1-4-23(7-8-23)29-18-6-5-17-11-24-22(19(17)9-18)20-10-21(26-14-25-20)27-12-15(2)28-16(3)13-27;1-22(4-5-22)30-16-3-2-15-12-24-21(17(15)10-16)18-11-19(26-14-25-18)28-9-8-27(7-6-23)20(29)13-28;1-3-22(6-7-22)29-16-5-4-15-12-23-21(17(15)10-16)18-11-19(25-14-24-18)27-9-8-26(2)20(28)13-27;1-14-11-26(12-15(2)27-14)20-9-19(24-13-25-20)21-18-8-17(28-22(3)6-7-22)5-4-16(18)10-23-21;1-21(5-6-21)29-16-4-3-15-13-22-20(17(15)11-16)18-12-19(24-14-23-18)25-7-9-26(10-8-25)30(2,27)28;1-21(5-6-21)27-16-4-3-15-13-22-20(17(15)11-16)18-12-19(24-14-23-18)26-9-7-25(2)8-10-26/h5-6,9-10,14-16H,4,7-8,11-13H2,1-3H3;2-3,10-11,14H,4-9,12-13H2,1H3;4-5,10-11,14H,3,6-9,12-13H2,1-2H3;4-5,8-9,13-15H,6-7,10-12H2,1-3H3;3-4,11-12,14H,5-10,13H2,1-2H3;3-4,11-12,14H,5-10,13H2,1-2H3/t15-,16+;;;14-,15+
• InChIKey: GKLGOFXTXCLSOE-WYIYGCOJSA-N
• XLogP: 16.29
• TPSA: 403.36 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 29
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2362.91
LogP ≤ 5	16.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;(2R,6S)-4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;1-(2-fluoroethyl)-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole?

The IUPAC name of (2R,6S)-2,6-dimethyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;(2R,6S)-4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;1-(2-fluoroethyl)-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole (CID 158283130) is (2R,6S)-2,6-dimethyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;(2R,6S)-4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;1-(2-fluoroethyl)-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole.

What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;(2R,6S)-4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;1-(2-fluoroethyl)-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole?

The canonical SMILES for (2R,6S)-2,6-dimethyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;(2R,6S)-4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;1-(2-fluoroethyl)-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole is CC1(Oc2ccc3c(c2)C(c2cc(N4CCN(CCF)C(=O)C4)ncn2)=NC3)CC1.CC1(Oc2ccc3c(c2)C(c2cc(N4CCN(S(C)(=O)=O)CC4)ncn2)=NC3)CC1.CCC1(Oc2ccc3c(c2)C(c2cc(N4CCN(C)C(=O)C4)ncn2)=NC3)CC1.CCC1(Oc2ccc3c(c2)C(c2cc(N4C[C@@H](C)O[C@@H](C)C4)ncn2)=NC3)CC1.CN1CCN(c2cc(C3=NCc4ccc(OC5(C)CC5)cc43)ncn2)CC1.C[C@@H]1CN(c2cc(C3=NCc4ccc(OC5(C)CC5)cc43)ncn2)C[C@H](C)O1.

What is the InChIKey of (2R,6S)-2,6-dimethyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;(2R,6S)-4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;1-(2-fluoroethyl)-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole?

The InChIKey is GKLGOFXTXCLSOE-WYIYGCOJSA-N. The full InChI is InChI=1S/C23H28N4O2.C22H24FN5O2.C22H25N5O2.C22H26N4O2.C21H25N5O3S.C21H25N5O/c1-4-23(7-8-23)29-18-6-5-17-11-24-22(19(17)9-18)20-10-21(26-14-25-20)27-12-15(2)28-16(3)13-27;1-22(4-5-22)30-16-3-2-15-12-24-21(17(15)10-16)18-11-19(26-14-25-18)28-9-8-27(7-6-23)20(29)13-28;1-3-22(6-7-22)29-16-5-4-15-12-23-21(17(15)10-16)18-11-19(25-14-24-18)27-9-8-26(2)20(28)13-27;1-14-11-26(12-15(2)27-14)20-9-19(24-13-25-20)21-18-8-17(28-22(3)6-7-22)5-4-16(18)10-23-21;1-21(5-6-21)29-16-4-3-15-13-22-20(17(15)11-16)18-12-19(24-14-23-18)25-7-9-26(10-8-25)30(2,27)28;1-21(5-6-21)27-16-4-3-15-13-22-20(17(15)11-16)18-12-19(24-14-23-18)26-9-7-25(2)8-10-26/h5-6,9-10,14-16H,4,7-8,11-13H2,1-3H3;2-3,10-11,14H,4-9,12-13H2,1H3;4-5,10-11,14H,3,6-9,12-13H2,1-2H3;4-5,8-9,13-15H,6-7,10-12H2,1-3H3;3-4,11-12,14H,5-10,13H2,1-2H3;3-4,11-12,14H,5-10,13H2,1-2H3/t15-,16+;;;14-,15+;;.

What are the key properties of (2R,6S)-2,6-dimethyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;(2R,6S)-4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;1-(2-fluoroethyl)-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole?

(2R,6S)-2,6-dimethyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;(2R,6S)-4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;1-(2-fluoroethyl)-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole has a molecular weight of 2362.91 g/mol, XLogP of 16.29, 29 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,6S)-2,6-dimethyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;(2R,6S)-4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;1-(2-fluoroethyl)-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole is sourced from PubChem (CID 158283130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).