1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-5-(methylamino)phenoxy]-3-(methylamino)propan-2-ol;cyclopropyl-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone;1-[3-[4-[4-(2,2-difluoropropyl)piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[(1S,3S)-3-methylcyclopentyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;2-methoxyethyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]piperazine-1-carboxylate

C161H211F5N32O22 — CID 158481818

IUPAC1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-5-(methylamino)phenoxy]-3-(methylamino)propan-2-ol;cyclopropyl-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone;1-[3-[4-[4-(2,2-difluoropropyl)piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[(1S,3S)-3-methylcyclopentyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;2-methoxyethyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]piperazine-1-carboxylate
SMILESCNCC(O)COc1cc(NC)cc(-c2nc(CC3CCCCC3)c(C)c(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3c(C)noc3C)c(C)c(N3CCN(C(=O)OCCOC)CC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3c(C)noc3C)cc(N3CCCC(C(F)(F)F)C3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3c(C)noc3C)cc(N3CCN(C(=O)C4CC4)CC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3c(C)noc3C)cc(N3CCN(CC(C)(F)F)CC3)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@H]3CC[C@H](C)C3)c(C)c(-c3c(C)noc3C)n2)c1
InChIInChI=1S/C28H38N6O6.C28H39N5O3.C27H34N6O4.C27H36N4O3.C26H34F2N6O3.C25H30F3N5O3/c1-18-25(24-19(2)32-40-20(24)3)30-26(21-7-6-8-23(15-21)39-17-22(35)16-29-4)31-27(18)33-9-11-34(12-10-33)28(36)38-14-13-37-5;1-17-25(11-20-9-7-6-8-10-20)31-28(32-27(17)26-18(2)33-36-19(26)3)21-12-22(30-5)14-24(13-21)35-16-23(34)15-29-4;1-17-25(18(2)37-31-17)23-14-24(32-9-11-33(12-10-32)27(35)19-7-8-19)30-26(29-23)20-5-4-6-22(13-20)36-16-21(34)15-28-3;1-16-9-10-20(11-16)12-24-17(2)26(25-18(3)31-34-19(25)4)30-27(29-24)21-7-6-8-23(13-21)33-15-22(32)14-28-5;1-17-24(18(2)37-32-17)22-13-23(34-10-8-33(9-11-34)16-26(3,27)28)31-25(30-22)19-6-5-7-21(12-19)36-15-20(35)14-29-4;1-15-23(16(2)36-32-15)21-11-22(33-9-5-7-18(13-33)25(26,27)28)31-24(30-21)17-6-4-8-20(10-17)35-14-19(34)12-29-3/h6-8,15,22,29,35H,9-14,16-17H2,1-5H3;12-14,20,23,29-30,34H,6-11,15-16H2,1-5H3;4-6,13-14,19,21,28,34H,7-12,15-16H2,1-3H3;6-8,13,16,20,22,28,32H,9-12,14-15H2,1-5H3;5-7,12-13,20,29,35H,8-11,14-16H2,1-4H3;4,6,8,10-11,18-19,29,34H,5,7,9,12-14H2,1-3H3/t;;;16-,20-,22?;;/m...0../s1
InChIKeyHHPMJYJCLZEZJO-WXHFFIAOSA-N
MW3041.65 g/mol
LogP21.84
Rot. Bonds57

About 1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-5-(methylamino)phenoxy]-3-(methylamino)propan-2-ol;cyclopropyl-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone;1-[3-[4-[4-(2,2-difluoropropyl)piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[(1S,3S)-3-methylcyclopentyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;2-methoxyethyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]piperazine-1-carboxylate

1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-5-(methylamino)phenoxy]-3-(methylamino)propan-2-ol;cyclopropyl-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone;1-[3-[4-[4-(2,2-difluoropropyl)piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[(1S,3S)-3-methylcyclopentyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;2-methoxyethyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]piperazine-1-carboxylate (PubChem CID 158481818) has the molecular formula C161H211F5N32O22 and a molecular weight of 3041.65 g/mol. Its IUPAC name is 1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-5-(methylamino)phenoxy]-3-(methylamino)propan-2-ol;cyclopropyl-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone;1-[3-[4-[4-(2,2-difluoropropyl)piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[(1S,3S)-3-methylcyclopentyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;2-methoxyethyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Name1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-5-(methylamino)phenoxy]-3-(methylamino)propan-2-ol;cyclopropyl-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone;1-[3-[4-[4-(2,2-difluoropropyl)piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[(1S,3S)-3-methylcyclopentyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;2-methoxyethyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]piperazine-1-carboxylate
PubChem CID158481818
Molecular FormulaC161H211F5N32O22
Molecular Weight3041.65 g/mol
Exact Mass3039.63
IUPAC Name1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-5-(methylamino)phenoxy]-3-(methylamino)propan-2-ol;cyclopropyl-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone;1-[3-[4-[4-(2,2-difluoropropyl)piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[(1S,3S)-3-methylcyclopentyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;2-methoxyethyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]piperazine-1-carboxylate
SMILESCNCC(O)COc1cc(NC)cc(-c2nc(CC3CCCCC3)c(C)c(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3c(C)noc3C)c(C)c(N3CCN(C(=O)OCCOC)CC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3c(C)noc3C)cc(N3CCCC(C(F)(F)F)C3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3c(C)noc3C)cc(N3CCN(C(=O)C4CC4)CC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3c(C)noc3C)cc(N3CCN(CC(C)(F)F)CC3)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@H]3CC[C@H](C)C3)c(C)c(-c3c(C)noc3C)n2)c1
InChIInChI=1S/C28H38N6O6.C28H39N5O3.C27H34N6O4.C27H36N4O3.C26H34F2N6O3.C25H30F3N5O3/c1-18-25(24-19(2)32-40-20(24)3)30-26(21-7-6-8-23(15-21)39-17-22(35)16-29-4)31-27(18)33-9-11-34(12-10-33)28(36)38-14-13-37-5;1-17-25(11-20-9-7-6-8-10-20)31-28(32-27(17)26-18(2)33-36-19(26)3)21-12-22(30-5)14-24(13-21)35-16-23(34)15-29-4;1-17-25(18(2)37-31-17)23-14-24(32-9-11-33(12-10-32)27(35)19-7-8-19)30-26(29-23)20-5-4-6-22(13-20)36-16-21(34)15-28-3;1-16-9-10-20(11-16)12-24-17(2)26(25-18(3)31-34-19(25)4)30-27(29-24)21-7-6-8-23(13-21)33-15-22(32)14-28-5;1-17-24(18(2)37-32-17)22-13-23(34-10-8-33(9-11-34)16-26(3,27)28)31-25(30-22)19-6-5-7-21(12-19)36-15-20(35)14-29-4;1-15-23(16(2)36-32-15)21-11-22(33-9-5-7-18(13-33)25(26,27)28)31-24(30-21)17-6-4-8-20(10-17)35-14-19(34)12-29-3/h6-8,15,22,29,35H,9-14,16-17H2,1-5H3;12-14,20,23,29-30,34H,6-11,15-16H2,1-5H3;4-6,13-14,19,21,28,34H,7-12,15-16H2,1-3H3;6-8,13,16,20,22,28,32H,9-12,14-15H2,1-5H3;5-7,12-13,20,29,35H,8-11,14-16H2,1-4H3;4,6,8,10-11,18-19,29,34H,5,7,9,12-14H2,1-3H3/t;;;16-,20-,22?;;/m...0../s1
InChIKeyHHPMJYJCLZEZJO-WXHFFIAOSA-N
XLogP21.84
TPSA647.11 Ų
H-Bond Donors13
H-Bond Acceptors52
Rotatable Bonds57
Heavy Atoms220
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003041.65
LogP ≤ 521.84
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-5-(methylamino)phenoxy]-3-(methylamino)propan-2-ol;cyclopropyl-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone;1-[3-[4-[4-(2,2-difluoropropyl)piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[(1S,3S)-3-methylcyclopentyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;2-methoxyethyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-5-(methylamino)phenoxy]-3-(methylamino)propan-2-ol;cyclopropyl-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone;1-[3-[4-[4-(2,2-difluoropropyl)piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[(1S,3S)-3-methylcyclopentyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;2-methoxyethyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]piperazine-1-carboxylate?
The IUPAC name of 1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-5-(methylamino)phenoxy]-3-(methylamino)propan-2-ol;cyclopropyl-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone;1-[3-[4-[4-(2,2-difluoropropyl)piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[(1S,3S)-3-methylcyclopentyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;2-methoxyethyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]piperazine-1-carboxylate (CID 158481818) is 1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-5-(methylamino)phenoxy]-3-(methylamino)propan-2-ol;cyclopropyl-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone;1-[3-[4-[4-(2,2-difluoropropyl)piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[(1S,3S)-3-methylcyclopentyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;2-methoxyethyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for 1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-5-(methylamino)phenoxy]-3-(methylamino)propan-2-ol;cyclopropyl-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone;1-[3-[4-[4-(2,2-difluoropropyl)piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[(1S,3S)-3-methylcyclopentyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;2-methoxyethyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for 1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-5-(methylamino)phenoxy]-3-(methylamino)propan-2-ol;cyclopropyl-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone;1-[3-[4-[4-(2,2-difluoropropyl)piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[(1S,3S)-3-methylcyclopentyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;2-methoxyethyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]piperazine-1-carboxylate is CNCC(O)COc1cc(NC)cc(-c2nc(CC3CCCCC3)c(C)c(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3c(C)noc3C)c(C)c(N3CCN(C(=O)OCCOC)CC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3c(C)noc3C)cc(N3CCCC(C(F)(F)F)C3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3c(C)noc3C)cc(N3CCN(C(=O)C4CC4)CC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3c(C)noc3C)cc(N3CCN(CC(C)(F)F)CC3)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@H]3CC[C@H](C)C3)c(C)c(-c3c(C)noc3C)n2)c1.
What is the InChIKey of 1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-5-(methylamino)phenoxy]-3-(methylamino)propan-2-ol;cyclopropyl-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone;1-[3-[4-[4-(2,2-difluoropropyl)piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[(1S,3S)-3-methylcyclopentyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;2-methoxyethyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]piperazine-1-carboxylate?
The InChIKey is HHPMJYJCLZEZJO-WXHFFIAOSA-N. The full InChI is InChI=1S/C28H38N6O6.C28H39N5O3.C27H34N6O4.C27H36N4O3.C26H34F2N6O3.C25H30F3N5O3/c1-18-25(24-19(2)32-40-20(24)3)30-26(21-7-6-8-23(15-21)39-17-22(35)16-29-4)31-27(18)33-9-11-34(12-10-33)28(36)38-14-13-37-5;1-17-25(11-20-9-7-6-8-10-20)31-28(32-27(17)26-18(2)33-36-19(26)3)21-12-22(30-5)14-24(13-21)35-16-23(34)15-29-4;1-17-25(18(2)37-31-17)23-14-24(32-9-11-33(12-10-32)27(35)19-7-8-19)30-26(29-23)20-5-4-6-22(13-20)36-16-21(34)15-28-3;1-16-9-10-20(11-16)12-24-17(2)26(25-18(3)31-34-19(25)4)30-27(29-24)21-7-6-8-23(13-21)33-15-22(32)14-28-5;1-17-24(18(2)37-32-17)22-13-23(34-10-8-33(9-11-34)16-26(3,27)28)31-25(30-22)19-6-5-7-21(12-19)36-15-20(35)14-29-4;1-15-23(16(2)36-32-15)21-11-22(33-9-5-7-18(13-33)25(26,27)28)31-24(30-21)17-6-4-8-20(10-17)35-14-19(34)12-29-3/h6-8,15,22,29,35H,9-14,16-17H2,1-5H3;12-14,20,23,29-30,34H,6-11,15-16H2,1-5H3;4-6,13-14,19,21,28,34H,7-12,15-16H2,1-3H3;6-8,13,16,20,22,28,32H,9-12,14-15H2,1-5H3;5-7,12-13,20,29,35H,8-11,14-16H2,1-4H3;4,6,8,10-11,18-19,29,34H,5,7,9,12-14H2,1-3H3/t;;;16-,20-,22?;;/m...0../s1.
What are the key properties of 1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-5-(methylamino)phenoxy]-3-(methylamino)propan-2-ol;cyclopropyl-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone;1-[3-[4-[4-(2,2-difluoropropyl)piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[(1S,3S)-3-methylcyclopentyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;2-methoxyethyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]piperazine-1-carboxylate?
1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-5-(methylamino)phenoxy]-3-(methylamino)propan-2-ol;cyclopropyl-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone;1-[3-[4-[4-(2,2-difluoropropyl)piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[(1S,3S)-3-methylcyclopentyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;2-methoxyethyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]piperazine-1-carboxylate has a molecular weight of 3041.65 g/mol, XLogP of 21.84, 57 rotatable bonds, 13 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-5-(methylamino)phenoxy]-3-(methylamino)propan-2-ol;cyclopropyl-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone;1-[3-[4-[4-(2,2-difluoropropyl)piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[(1S,3S)-3-methylcyclopentyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;2-methoxyethyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 158481818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).