1-[3-[4-(2-fluoro-3-pyridinyl)-5-methyl-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(2R)-2-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(3S)-3-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]propan-2-ol

C122H161FN24O15 — CID 160943567

About 1-[3-[4-(2-fluoro-3-pyridinyl)-5-methyl-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(2R)-2-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(3S)-3-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]propan-2-ol

1-[3-[4-(2-fluoro-3-pyridinyl)-5-methyl-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(2R)-2-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(3S)-3-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]propan-2-ol (PubChem CID 160943567) has the molecular formula C122H161FN24O15 and a molecular weight of 2222.78 g/mol. Its IUPAC name is 1-[3-[4-(2-fluoro-3-pyridinyl)-5-methyl-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(2R)-2-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(3S)-3-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-[3-[4-(2-fluoro-3-pyridinyl)-5-methyl-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(2R)-2-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(3S)-3-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]propan-2-ol
• PubChem CID: 160943567
• Molecular Formula: C122H161FN24O15
• Molecular Weight: 2222.78 g/mol
• Exact Mass: 2221.26
• IUPAC Name: 1-[3-[4-(2-fluoro-3-pyridinyl)-5-methyl-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(2R)-2-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(3S)-3-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]propan-2-ol
• SMILES: CNCC(O)COc1cccc(-c2nc(C[C@@H]3CCOC3)c(C)c(-c3cccnc3F)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@@H]3CCOC3)c(C)c(-c3ccn[nH]3)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@@H]3CCOC3)c(C)c(-c3cncnc3)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@@H]3CCOC3)c(C)c(N3CCNC[C@H]3C)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@@H]3CCOC3)c(C)c(N3CCN[C@@H](C)C3)n2)c1
• InChI: InChI=1S/C25H29FN4O3.2C25H37N5O3.C24H29N5O3.C23H29N5O3/c1-16-22(11-17-8-10-32-14-17)29-25(30-23(16)21-7-4-9-28-24(21)26)18-5-3-6-20(12-18)33-15-19(31)13-27-2;1-17-14-30(9-8-27-17)25-18(2)23(11-19-7-10-32-15-19)28-24(29-25)20-5-4-6-22(12-20)33-16-21(31)13-26-3;1-17-13-27-8-9-30(17)25-18(2)23(11-19-7-10-32-15-19)28-24(29-25)20-5-4-6-22(12-20)33-16-21(31)14-26-3;1-16-22(8-17-6-7-31-13-17)28-24(29-23(16)19-10-26-15-27-11-19)18-4-3-5-21(9-18)32-14-20(30)12-25-2;1-15-21(10-16-7-9-30-13-16)26-23(27-22(15)20-6-8-25-28-20)17-4-3-5-19(11-17)31-14-18(29)12-24-2/h3-7,9,12,17,19,27,31H,8,10-11,13-15H2,1-2H3;2*4-6,12,17,19,21,26-27,31H,7-11,13-16H2,1-3H3;3-5,9-11,15,17,20,25,30H,6-8,12-14H2,1-2H3;3-6,8,11,16,18,24,29H,7,9-10,12-14H2,1-2H3,(H,25,28)/t17-,19?;17-,19-,21?;17-,19+,21?;17-,20?;16-,18?/m00100/s1
• InChIKey: SUUZNKXIVQMMSL-LUCJFUARSA-N
• XLogP: 11.60
• TPSA: 480.39 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 38
• Rotatable Bonds: 45
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2222.78
LogP ≤ 5	11.60
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-fluoro-3-pyridinyl)-5-methyl-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(2R)-2-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(3S)-3-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]propan-2-ol?

The IUPAC name of 1-[3-[4-(2-fluoro-3-pyridinyl)-5-methyl-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(2R)-2-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(3S)-3-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]propan-2-ol (CID 160943567) is 1-[3-[4-(2-fluoro-3-pyridinyl)-5-methyl-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(2R)-2-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(3S)-3-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]propan-2-ol.

What is the SMILES notation for 1-[3-[4-(2-fluoro-3-pyridinyl)-5-methyl-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(2R)-2-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(3S)-3-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]propan-2-ol?

The canonical SMILES for 1-[3-[4-(2-fluoro-3-pyridinyl)-5-methyl-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(2R)-2-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(3S)-3-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]propan-2-ol is CNCC(O)COc1cccc(-c2nc(C[C@@H]3CCOC3)c(C)c(-c3cccnc3F)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@@H]3CCOC3)c(C)c(-c3ccn[nH]3)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@@H]3CCOC3)c(C)c(-c3cncnc3)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@@H]3CCOC3)c(C)c(N3CCNC[C@H]3C)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@@H]3CCOC3)c(C)c(N3CCN[C@@H](C)C3)n2)c1.

What is the InChIKey of 1-[3-[4-(2-fluoro-3-pyridinyl)-5-methyl-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(2R)-2-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(3S)-3-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]propan-2-ol?

The InChIKey is SUUZNKXIVQMMSL-LUCJFUARSA-N. The full InChI is InChI=1S/C25H29FN4O3.2C25H37N5O3.C24H29N5O3.C23H29N5O3/c1-16-22(11-17-8-10-32-14-17)29-25(30-23(16)21-7-4-9-28-24(21)26)18-5-3-6-20(12-18)33-15-19(31)13-27-2;1-17-14-30(9-8-27-17)25-18(2)23(11-19-7-10-32-15-19)28-24(29-25)20-5-4-6-22(12-20)33-16-21(31)13-26-3;1-17-13-27-8-9-30(17)25-18(2)23(11-19-7-10-32-15-19)28-24(29-25)20-5-4-6-22(12-20)33-16-21(31)14-26-3;1-16-22(8-17-6-7-31-13-17)28-24(29-23(16)19-10-26-15-27-11-19)18-4-3-5-21(9-18)32-14-20(30)12-25-2;1-15-21(10-16-7-9-30-13-16)26-23(27-22(15)20-6-8-25-28-20)17-4-3-5-19(11-17)31-14-18(29)12-24-2/h3-7,9,12,17,19,27,31H,8,10-11,13-15H2,1-2H3;2*4-6,12,17,19,21,26-27,31H,7-11,13-16H2,1-3H3;3-5,9-11,15,17,20,25,30H,6-8,12-14H2,1-2H3;3-6,8,11,16,18,24,29H,7,9-10,12-14H2,1-2H3,(H,25,28)/t17-,19?;17-,19-,21?;17-,19+,21?;17-,20?;16-,18?/m00100/s1.

What are the key properties of 1-[3-[4-(2-fluoro-3-pyridinyl)-5-methyl-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(2R)-2-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(3S)-3-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]propan-2-ol?

1-[3-[4-(2-fluoro-3-pyridinyl)-5-methyl-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(2R)-2-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(3S)-3-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]propan-2-ol has a molecular weight of 2222.78 g/mol, XLogP of 11.60, 45 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-(2-fluoro-3-pyridinyl)-5-methyl-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(2R)-2-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[(3S)-3-methylpiperazin-1-yl]-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 160943567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).