1-[3-chloro-5-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)amino]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(6-methyl-3-pyridinyl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(pyridin-3-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

C131H160ClN27O17 — CID 158209163

About 1-[3-chloro-5-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)amino]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(6-methyl-3-pyridinyl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(pyridin-3-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

1-[3-chloro-5-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)amino]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(6-methyl-3-pyridinyl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(pyridin-3-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol (PubChem CID 158209163) has the molecular formula C131H160ClN27O17 and a molecular weight of 2420.35 g/mol. Its IUPAC name is 1-[3-chloro-5-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)amino]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(6-methyl-3-pyridinyl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(pyridin-3-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

• Compound Name: 1-[3-chloro-5-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)amino]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(6-methyl-3-pyridinyl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(pyridin-3-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
• PubChem CID: 158209163
• Molecular Formula: C131H160ClN27O17
• Molecular Weight: 2420.35 g/mol
• Exact Mass: 2418.22
• IUPAC Name: 1-[3-chloro-5-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)amino]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(6-methyl-3-pyridinyl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(pyridin-3-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
• SMILES: CNCC(O)COc1cc(Cl)cc(-c2nc(CC3CCCCC3)c(C)c(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cccc(-c2nc(C(=O)N(C)CC3CCCCC3)cc(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cccc(-c2nc(Nc3c(C)noc3C)c(C)c(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cccc(-c2nc(Nc3ccc(C)nc3)c(C)c(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cccc(-c2nc(Nc3cccnc3)c(C)c(-c3c(C)noc3C)n2)c1
• InChI: InChI=1S/C28H37N5O4.C27H35ClN4O3.C26H30N6O3.C25H30N6O4.C25H28N6O3/c1-18-26(19(2)37-32-18)24-14-25(28(35)33(4)16-20-9-6-5-7-10-20)31-27(30-24)21-11-8-12-23(13-21)36-17-22(34)15-29-3;1-16-24(10-19-8-6-5-7-9-19)30-27(31-26(16)25-17(2)32-35-18(25)3)20-11-21(28)13-23(12-20)34-15-22(33)14-29-4;1-15-9-10-20(12-28-15)29-25-16(2)24(23-17(3)32-35-18(23)4)30-26(31-25)19-7-6-8-22(11-19)34-14-21(33)13-27-5;1-13-22(21-14(2)30-34-16(21)4)27-25(29-24(13)28-23-15(3)31-35-17(23)5)18-8-7-9-20(10-18)33-12-19(32)11-26-6;1-15-23(22-16(2)31-34-17(22)3)29-25(30-24(15)28-19-8-6-10-27-12-19)18-7-5-9-21(11-18)33-14-20(32)13-26-4/h8,11-14,20,22,29,34H,5-7,9-10,15-17H2,1-4H3;11-13,19,22,29,33H,5-10,14-15H2,1-4H3;6-12,21,27,33H,13-14H2,1-5H3,(H,29,30,31);7-10,19,26,32H,11-12H2,1-6H3,(H,27,28,29);5-12,20,26,32H,13-14H2,1-4H3,(H,28,29,30)
• InChIKey: GBVYWZLALJWGAP-UHFFFAOYSA-N
• XLogP: 21.47
• TPSA: 574.71 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 43
• Rotatable Bonds: 46
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2420.35
LogP ≤ 5	21.47
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)amino]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(6-methyl-3-pyridinyl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(pyridin-3-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?

The IUPAC name of 1-[3-chloro-5-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)amino]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(6-methyl-3-pyridinyl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(pyridin-3-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol (CID 158209163) is 1-[3-chloro-5-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)amino]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(6-methyl-3-pyridinyl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(pyridin-3-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.

What is the SMILES notation for 1-[3-chloro-5-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)amino]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(6-methyl-3-pyridinyl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(pyridin-3-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?

The canonical SMILES for 1-[3-chloro-5-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)amino]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(6-methyl-3-pyridinyl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(pyridin-3-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol is CNCC(O)COc1cc(Cl)cc(-c2nc(CC3CCCCC3)c(C)c(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cccc(-c2nc(C(=O)N(C)CC3CCCCC3)cc(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cccc(-c2nc(Nc3c(C)noc3C)c(C)c(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cccc(-c2nc(Nc3ccc(C)nc3)c(C)c(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cccc(-c2nc(Nc3cccnc3)c(C)c(-c3c(C)noc3C)n2)c1.

What is the InChIKey of 1-[3-chloro-5-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)amino]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(6-methyl-3-pyridinyl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(pyridin-3-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?

The InChIKey is GBVYWZLALJWGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O4.C27H35ClN4O3.C26H30N6O3.C25H30N6O4.C25H28N6O3/c1-18-26(19(2)37-32-18)24-14-25(28(35)33(4)16-20-9-6-5-7-10-20)31-27(30-24)21-11-8-12-23(13-21)36-17-22(34)15-29-3;1-16-24(10-19-8-6-5-7-9-19)30-27(31-26(16)25-17(2)32-35-18(25)3)20-11-21(28)13-23(12-20)34-15-22(33)14-29-4;1-15-9-10-20(12-28-15)29-25-16(2)24(23-17(3)32-35-18(23)4)30-26(31-25)19-7-6-8-22(11-19)34-14-21(33)13-27-5;1-13-22(21-14(2)30-34-16(21)4)27-25(29-24(13)28-23-15(3)31-35-17(23)5)18-8-7-9-20(10-18)33-12-19(32)11-26-6;1-15-23(22-16(2)31-34-17(22)3)29-25(30-24(15)28-19-8-6-10-27-12-19)18-7-5-9-21(11-18)33-14-20(32)13-26-4/h8,11-14,20,22,29,34H,5-7,9-10,15-17H2,1-4H3;11-13,19,22,29,33H,5-10,14-15H2,1-4H3;6-12,21,27,33H,13-14H2,1-5H3,(H,29,30,31);7-10,19,26,32H,11-12H2,1-6H3,(H,27,28,29);5-12,20,26,32H,13-14H2,1-4H3,(H,28,29,30).

What are the key properties of 1-[3-chloro-5-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)amino]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(6-methyl-3-pyridinyl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(pyridin-3-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?

1-[3-chloro-5-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)amino]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(6-methyl-3-pyridinyl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(pyridin-3-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 2420.35 g/mol, XLogP of 21.47, 46 rotatable bonds, 13 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-5-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)amino]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(6-methyl-3-pyridinyl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(pyridin-3-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 158209163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).