3-[6-(2,4-dimethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;N-(2-methoxyethyl)-N-methyl-6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-amine;8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-propan-2-ylpiperazin-2-one;3-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine

C132H156N28O10 — CID 157098395

About 3-[6-(2,4-dimethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;N-(2-methoxyethyl)-N-methyl-6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-amine;8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-propan-2-ylpiperazin-2-one;3-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine

3-[6-(2,4-dimethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;N-(2-methoxyethyl)-N-methyl-6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-amine;8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-propan-2-ylpiperazin-2-one;3-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 157098395) has the molecular formula C132H156N28O10 and a molecular weight of 2294.89 g/mol. Its IUPAC name is 3-[6-(2,4-dimethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;N-(2-methoxyethyl)-N-methyl-6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-amine;8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-propan-2-ylpiperazin-2-one;3-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: 3-[6-(2,4-dimethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;N-(2-methoxyethyl)-N-methyl-6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-amine;8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-propan-2-ylpiperazin-2-one;3-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
• PubChem CID: 157098395
• Molecular Formula: C132H156N28O10
• Molecular Weight: 2294.89 g/mol
• Exact Mass: 2293.26
• IUPAC Name: 3-[6-(2,4-dimethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;N-(2-methoxyethyl)-N-methyl-6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-amine;8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-propan-2-ylpiperazin-2-one;3-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
• SMILES: CC(C)N1CCN(c2cc(C3=NCc4ccc(OC5(C)CC5)cc43)ncn2)CC1=O.CC1(Oc2ccc3c(c2)C(c2cc(N4CCC5(CCNC5=O)CC4)ncn2)=NC3)CC1.CC1CN(C)CCN1c1cc(C2=NCc3ccc(OC4(C)CC4)cc32)ncn1.CC1COCCN1c1cc(C2=NCc3ccc(OC4(C)CC4)cc32)ncn1.COCCN(C)c1cc(C2=NCc3ccc(OC4(C)CC4)cc32)ncn1.C[C@@H]1CN(c2cc(C3=NCc4ccc(OC5(C)CC5)cc43)ncn2)CCN1C
• InChI: InChI=1S/C24H27N5O2.C23H27N5O2.2C22H27N5O.C21H24N4O2.C20H24N4O2/c1-23(4-5-23)31-17-3-2-16-14-26-21(18(16)12-17)19-13-20(28-15-27-19)29-10-7-24(8-11-29)6-9-25-22(24)30;1-15(2)28-9-8-27(13-21(28)29)20-11-19(25-14-26-20)22-18-10-17(30-23(3)6-7-23)5-4-16(18)12-24-22;1-15-13-27(9-8-26(15)3)20-11-19(24-14-25-20)21-18-10-17(28-22(2)6-7-22)5-4-16(18)12-23-21;1-15-13-26(3)8-9-27(15)20-11-19(24-14-25-20)21-18-10-17(28-22(2)6-7-22)5-4-16(18)12-23-21;1-14-12-26-8-7-25(14)19-10-18(23-13-24-19)20-17-9-16(27-21(2)5-6-21)4-3-15(17)11-22-20;1-20(6-7-20)26-15-5-4-14-12-21-19(16(14)10-15)17-11-18(23-13-22-17)24(2)8-9-25-3/h2-3,12-13,15H,4-11,14H2,1H3,(H,25,30);4-5,10-11,14-15H,6-9,12-13H2,1-3H3;2*4-5,10-11,14-15H,6-9,12-13H2,1-3H3;3-4,9-10,13-14H,5-8,11-12H2,1-2H3;4-5,10-11,13H,6-9,12H2,1-3H3/t;;15-;;;/m..1.../s1
• InChIKey: AFMATYZEFKJXOZ-XGCNOMILSA-N
• XLogP: 17.31
• TPSA: 378.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 36
• Rotatable Bonds: 28
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2294.89
LogP ≤ 5	17.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,4-dimethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;N-(2-methoxyethyl)-N-methyl-6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-amine;8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-propan-2-ylpiperazin-2-one;3-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine?

The IUPAC name of 3-[6-(2,4-dimethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;N-(2-methoxyethyl)-N-methyl-6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-amine;8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-propan-2-ylpiperazin-2-one;3-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine (CID 157098395) is 3-[6-(2,4-dimethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;N-(2-methoxyethyl)-N-methyl-6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-amine;8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-propan-2-ylpiperazin-2-one;3-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine.

What is the SMILES notation for 3-[6-(2,4-dimethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;N-(2-methoxyethyl)-N-methyl-6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-amine;8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-propan-2-ylpiperazin-2-one;3-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine?

The canonical SMILES for 3-[6-(2,4-dimethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;N-(2-methoxyethyl)-N-methyl-6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-amine;8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-propan-2-ylpiperazin-2-one;3-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine is CC(C)N1CCN(c2cc(C3=NCc4ccc(OC5(C)CC5)cc43)ncn2)CC1=O.CC1(Oc2ccc3c(c2)C(c2cc(N4CCC5(CCNC5=O)CC4)ncn2)=NC3)CC1.CC1CN(C)CCN1c1cc(C2=NCc3ccc(OC4(C)CC4)cc32)ncn1.CC1COCCN1c1cc(C2=NCc3ccc(OC4(C)CC4)cc32)ncn1.COCCN(C)c1cc(C2=NCc3ccc(OC4(C)CC4)cc32)ncn1.C[C@@H]1CN(c2cc(C3=NCc4ccc(OC5(C)CC5)cc43)ncn2)CCN1C.

What is the InChIKey of 3-[6-(2,4-dimethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;N-(2-methoxyethyl)-N-methyl-6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-amine;8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-propan-2-ylpiperazin-2-one;3-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine?

The InChIKey is AFMATYZEFKJXOZ-XGCNOMILSA-N. The full InChI is InChI=1S/C24H27N5O2.C23H27N5O2.2C22H27N5O.C21H24N4O2.C20H24N4O2/c1-23(4-5-23)31-17-3-2-16-14-26-21(18(16)12-17)19-13-20(28-15-27-19)29-10-7-24(8-11-29)6-9-25-22(24)30;1-15(2)28-9-8-27(13-21(28)29)20-11-19(25-14-26-20)22-18-10-17(30-23(3)6-7-23)5-4-16(18)12-24-22;1-15-13-27(9-8-26(15)3)20-11-19(24-14-25-20)21-18-10-17(28-22(2)6-7-22)5-4-16(18)12-23-21;1-15-13-26(3)8-9-27(15)20-11-19(24-14-25-20)21-18-10-17(28-22(2)6-7-22)5-4-16(18)12-23-21;1-14-12-26-8-7-25(14)19-10-18(23-13-24-19)20-17-9-16(27-21(2)5-6-21)4-3-15(17)11-22-20;1-20(6-7-20)26-15-5-4-14-12-21-19(16(14)10-15)17-11-18(23-13-22-17)24(2)8-9-25-3/h2-3,12-13,15H,4-11,14H2,1H3,(H,25,30);4-5,10-11,14-15H,6-9,12-13H2,1-3H3;2*4-5,10-11,14-15H,6-9,12-13H2,1-3H3;3-4,9-10,13-14H,5-8,11-12H2,1-2H3;4-5,10-11,13H,6-9,12H2,1-3H3/t;;15-;;;/m..1.../s1.

What are the key properties of 3-[6-(2,4-dimethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;N-(2-methoxyethyl)-N-methyl-6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-amine;8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-propan-2-ylpiperazin-2-one;3-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine?

3-[6-(2,4-dimethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;N-(2-methoxyethyl)-N-methyl-6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-amine;8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-propan-2-ylpiperazin-2-one;3-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 2294.89 g/mol, XLogP of 17.31, 28 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(2,4-dimethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;N-(2-methoxyethyl)-N-methyl-6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-amine;8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-propan-2-ylpiperazin-2-one;3-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 157098395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).