2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;5-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[5-methyl-4-[methyl-[(3R)-oxolan-3-yl]amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(2-methylpyrazol-3-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(1-methyltriazol-4-yl)-6-(oxolan-3-ylmethyl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(oxan-4-yl)-6-[[(3S)-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-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-2-carboxylate

C225H290ClN43O34 — CID 158090168

IUPAC2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;5-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[5-methyl-4-[methyl-[(3R)-oxolan-3-yl]amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(2-methylpyrazol-3-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(1-methyltriazol-4-yl)-6-(oxolan-3-ylmethyl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(oxan-4-yl)-6-[[(3S)-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-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-2-carboxylate
SMILESCNCC(O)COc1cc(Cl)cc(-c2nc(C[C@@H]3CCOC3)c(C)c(C(=O)NCC3CCOCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3ccncc3)c(C)c(N(C)[C@@H]3CCOC3)n2)c1.CNCC(O)COc1cccc(-c2nc(CC3CCOC3)c(C)c(-c3cn(C)nn3)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@@H]3CCOC3)c(C)c(-c3ccnn3C)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@@H]3CCOC3)c(C)c(-c3cn[nH]c3)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@@H]3CCOC3)c(C)c(C(=O)NCC3CCOCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@H]3CCOC3)c(C)c(C3CCOCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(N[C@@H]3CCOC3)c(C)c(-c3ccnc(C(=O)OC)c3)n2)c1.CNCC(O)COc1cccc(-c2nc(N[C@@H]3CCOC3)c(C)c(-c3cncc(C#N)c3)n2)c1
InChIInChI=1S/C27H37ClN4O5.C27H38N4O5.C26H31N5O5.C25H28N6O3.C25H31N5O3.C25H35N3O4.C24H31N5O3.C23H30N6O3.C23H29N5O3/c1-17-24(9-19-5-8-36-15-19)31-26(32-25(17)27(34)30-13-18-3-6-35-7-4-18)20-10-21(28)12-23(11-20)37-16-22(33)14-29-2;1-18-24(12-20-8-11-35-16-20)30-26(21-4-3-5-23(13-21)36-17-22(32)15-28-2)31-25(18)27(33)29-14-19-6-9-34-10-7-19;1-16-23(17-7-9-28-22(12-17)26(33)34-3)30-25(31-24(16)29-19-8-10-35-14-19)18-5-4-6-21(11-18)36-15-20(32)13-27-2;1-16-23(19-8-17(10-26)11-28-12-19)30-25(31-24(16)29-20-6-7-33-14-20)18-4-3-5-22(9-18)34-15-21(32)13-27-2;1-17-23(18-7-10-27-11-8-18)28-24(29-25(17)30(3)20-9-12-32-15-20)19-5-4-6-22(13-19)33-16-21(31)14-26-2;1-17-23(12-18-6-9-31-15-18)27-25(28-24(17)19-7-10-30-11-8-19)20-4-3-5-22(13-20)32-16-21(29)14-26-2;1-16-21(11-17-8-10-31-14-17)27-24(28-23(16)22-7-9-26-29(22)3)18-5-4-6-20(12-18)32-15-19(30)13-25-2;1-15-20(9-16-7-8-31-13-16)25-23(26-22(15)21-12-29(3)28-27-21)17-5-4-6-19(10-17)32-14-18(30)11-24-2;1-15-21(8-16-6-7-30-13-16)27-23(28-22(15)18-10-25-26-11-18)17-4-3-5-20(9-17)31-14-19(29)12-24-2/h10-12,18-19,22,29,33H,3-9,13-16H2,1-2H3,(H,30,34);3-5,13,19-20,22,28,32H,6-12,14-17H2,1-2H3,(H,29,33);4-7,9,11-12,19-20,27,32H,8,10,13-15H2,1-3H3,(H,29,30,31);3-5,8-9,11-12,20-21,27,32H,6-7,13-15H2,1-2H3,(H,29,30,31);4-8,10-11,13,20-21,26,31H,9,12,14-16H2,1-3H3;3-5,13,18-19,21,26,29H,6-12,14-16H2,1-2H3;4-7,9,12,17,19,25,30H,8,10-11,13-15H2,1-3H3;4-6,10,12,16,18,24,30H,7-9,11,13-14H2,1-3H3;3-5,9-11,16,19,24,29H,6-8,12-14H2,1-2H3,(H,25,26)/t19-,22?;20-,22?;19-,20?;2*20-,21?;18-,21?;17-,19?;;16-,19?/m0011110.0/s1
InChIKeyFNZUGDBVIVMRPL-OAIGRKOXSA-N
MW4176.51 g/mol
LogP22.09
Rot. Bonds86

About 2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;5-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[5-methyl-4-[methyl-[(3R)-oxolan-3-yl]amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(2-methylpyrazol-3-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(1-methyltriazol-4-yl)-6-(oxolan-3-ylmethyl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(oxan-4-yl)-6-[[(3S)-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-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-2-carboxylate

2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;5-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[5-methyl-4-[methyl-[(3R)-oxolan-3-yl]amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(2-methylpyrazol-3-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(1-methyltriazol-4-yl)-6-(oxolan-3-ylmethyl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(oxan-4-yl)-6-[[(3S)-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-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-2-carboxylate (PubChem CID 158090168) has the molecular formula C225H290ClN43O34 and a molecular weight of 4176.51 g/mol. Its IUPAC name is 2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;5-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[5-methyl-4-[methyl-[(3R)-oxolan-3-yl]amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(2-methylpyrazol-3-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(1-methyltriazol-4-yl)-6-(oxolan-3-ylmethyl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(oxan-4-yl)-6-[[(3S)-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-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Name2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;5-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[5-methyl-4-[methyl-[(3R)-oxolan-3-yl]amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(2-methylpyrazol-3-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(1-methyltriazol-4-yl)-6-(oxolan-3-ylmethyl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(oxan-4-yl)-6-[[(3S)-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-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-2-carboxylate
PubChem CID158090168
Molecular FormulaC225H290ClN43O34
Molecular Weight4176.51 g/mol
Exact Mass4173.20
IUPAC Name2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;5-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[5-methyl-4-[methyl-[(3R)-oxolan-3-yl]amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(2-methylpyrazol-3-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(1-methyltriazol-4-yl)-6-(oxolan-3-ylmethyl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(oxan-4-yl)-6-[[(3S)-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-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-2-carboxylate
SMILESCNCC(O)COc1cc(Cl)cc(-c2nc(C[C@@H]3CCOC3)c(C)c(C(=O)NCC3CCOCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3ccncc3)c(C)c(N(C)[C@@H]3CCOC3)n2)c1.CNCC(O)COc1cccc(-c2nc(CC3CCOC3)c(C)c(-c3cn(C)nn3)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@@H]3CCOC3)c(C)c(-c3ccnn3C)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@@H]3CCOC3)c(C)c(-c3cn[nH]c3)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@@H]3CCOC3)c(C)c(C(=O)NCC3CCOCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@H]3CCOC3)c(C)c(C3CCOCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(N[C@@H]3CCOC3)c(C)c(-c3ccnc(C(=O)OC)c3)n2)c1.CNCC(O)COc1cccc(-c2nc(N[C@@H]3CCOC3)c(C)c(-c3cncc(C#N)c3)n2)c1
InChIInChI=1S/C27H37ClN4O5.C27H38N4O5.C26H31N5O5.C25H28N6O3.C25H31N5O3.C25H35N3O4.C24H31N5O3.C23H30N6O3.C23H29N5O3/c1-17-24(9-19-5-8-36-15-19)31-26(32-25(17)27(34)30-13-18-3-6-35-7-4-18)20-10-21(28)12-23(11-20)37-16-22(33)14-29-2;1-18-24(12-20-8-11-35-16-20)30-26(21-4-3-5-23(13-21)36-17-22(32)15-28-2)31-25(18)27(33)29-14-19-6-9-34-10-7-19;1-16-23(17-7-9-28-22(12-17)26(33)34-3)30-25(31-24(16)29-19-8-10-35-14-19)18-5-4-6-21(11-18)36-15-20(32)13-27-2;1-16-23(19-8-17(10-26)11-28-12-19)30-25(31-24(16)29-20-6-7-33-14-20)18-4-3-5-22(9-18)34-15-21(32)13-27-2;1-17-23(18-7-10-27-11-8-18)28-24(29-25(17)30(3)20-9-12-32-15-20)19-5-4-6-22(13-19)33-16-21(31)14-26-2;1-17-23(12-18-6-9-31-15-18)27-25(28-24(17)19-7-10-30-11-8-19)20-4-3-5-22(13-20)32-16-21(29)14-26-2;1-16-21(11-17-8-10-31-14-17)27-24(28-23(16)22-7-9-26-29(22)3)18-5-4-6-20(12-18)32-15-19(30)13-25-2;1-15-20(9-16-7-8-31-13-16)25-23(26-22(15)21-12-29(3)28-27-21)17-5-4-6-19(10-17)32-14-18(30)11-24-2;1-15-21(8-16-6-7-30-13-16)27-23(28-22(15)18-10-25-26-11-18)17-4-3-5-20(9-17)31-14-19(29)12-24-2/h10-12,18-19,22,29,33H,3-9,13-16H2,1-2H3,(H,30,34);3-5,13,19-20,22,28,32H,6-12,14-17H2,1-2H3,(H,29,33);4-7,9,11-12,19-20,27,32H,8,10,13-15H2,1-3H3,(H,29,30,31);3-5,8-9,11-12,20-21,27,32H,6-7,13-15H2,1-2H3,(H,29,30,31);4-8,10-11,13,20-21,26,31H,9,12,14-16H2,1-3H3;3-5,13,18-19,21,26,29H,6-12,14-16H2,1-2H3;4-7,9,12,17,19,25,30H,8,10-11,13-15H2,1-3H3;4-6,10,12,16,18,24,30H,7-9,11,13-14H2,1-3H3;3-5,9-11,16,19,24,29H,6-8,12-14H2,1-2H3,(H,25,26)/t19-,22?;20-,22?;19-,20?;2*20-,21?;18-,21?;17-,19?;;16-,19?/m0011110.0/s1
InChIKeyFNZUGDBVIVMRPL-OAIGRKOXSA-N
XLogP22.09
TPSA967.66 Ų
H-Bond Donors23
H-Bond Acceptors74
Rotatable Bonds86
Heavy Atoms303
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004176.51
LogP ≤ 522.09
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1074

Analyze 2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;5-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[5-methyl-4-[methyl-[(3R)-oxolan-3-yl]amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(2-methylpyrazol-3-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(1-methyltriazol-4-yl)-6-(oxolan-3-ylmethyl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(oxan-4-yl)-6-[[(3S)-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-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-2-carboxylate with MolForge

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What is the IUPAC name of 2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;5-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[5-methyl-4-[methyl-[(3R)-oxolan-3-yl]amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(2-methylpyrazol-3-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(1-methyltriazol-4-yl)-6-(oxolan-3-ylmethyl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(oxan-4-yl)-6-[[(3S)-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-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-2-carboxylate?
The IUPAC name of 2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;5-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[5-methyl-4-[methyl-[(3R)-oxolan-3-yl]amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(2-methylpyrazol-3-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(1-methyltriazol-4-yl)-6-(oxolan-3-ylmethyl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(oxan-4-yl)-6-[[(3S)-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-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-2-carboxylate (CID 158090168) is 2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;5-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[5-methyl-4-[methyl-[(3R)-oxolan-3-yl]amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(2-methylpyrazol-3-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(1-methyltriazol-4-yl)-6-(oxolan-3-ylmethyl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(oxan-4-yl)-6-[[(3S)-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-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-2-carboxylate.
What is the SMILES notation for 2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;5-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[5-methyl-4-[methyl-[(3R)-oxolan-3-yl]amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(2-methylpyrazol-3-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(1-methyltriazol-4-yl)-6-(oxolan-3-ylmethyl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(oxan-4-yl)-6-[[(3S)-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-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-2-carboxylate?
The canonical SMILES for 2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;5-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[5-methyl-4-[methyl-[(3R)-oxolan-3-yl]amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(2-methylpyrazol-3-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(1-methyltriazol-4-yl)-6-(oxolan-3-ylmethyl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(oxan-4-yl)-6-[[(3S)-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-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-2-carboxylate is CNCC(O)COc1cc(Cl)cc(-c2nc(C[C@@H]3CCOC3)c(C)c(C(=O)NCC3CCOCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3ccncc3)c(C)c(N(C)[C@@H]3CCOC3)n2)c1.CNCC(O)COc1cccc(-c2nc(CC3CCOC3)c(C)c(-c3cn(C)nn3)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@@H]3CCOC3)c(C)c(-c3ccnn3C)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@@H]3CCOC3)c(C)c(-c3cn[nH]c3)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@@H]3CCOC3)c(C)c(C(=O)NCC3CCOCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@H]3CCOC3)c(C)c(C3CCOCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(N[C@@H]3CCOC3)c(C)c(-c3ccnc(C(=O)OC)c3)n2)c1.CNCC(O)COc1cccc(-c2nc(N[C@@H]3CCOC3)c(C)c(-c3cncc(C#N)c3)n2)c1.
What is the InChIKey of 2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;5-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[5-methyl-4-[methyl-[(3R)-oxolan-3-yl]amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(2-methylpyrazol-3-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(1-methyltriazol-4-yl)-6-(oxolan-3-ylmethyl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(oxan-4-yl)-6-[[(3S)-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-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-2-carboxylate?
The InChIKey is FNZUGDBVIVMRPL-OAIGRKOXSA-N. The full InChI is InChI=1S/C27H37ClN4O5.C27H38N4O5.C26H31N5O5.C25H28N6O3.C25H31N5O3.C25H35N3O4.C24H31N5O3.C23H30N6O3.C23H29N5O3/c1-17-24(9-19-5-8-36-15-19)31-26(32-25(17)27(34)30-13-18-3-6-35-7-4-18)20-10-21(28)12-23(11-20)37-16-22(33)14-29-2;1-18-24(12-20-8-11-35-16-20)30-26(21-4-3-5-23(13-21)36-17-22(32)15-28-2)31-25(18)27(33)29-14-19-6-9-34-10-7-19;1-16-23(17-7-9-28-22(12-17)26(33)34-3)30-25(31-24(16)29-19-8-10-35-14-19)18-5-4-6-21(11-18)36-15-20(32)13-27-2;1-16-23(19-8-17(10-26)11-28-12-19)30-25(31-24(16)29-20-6-7-33-14-20)18-4-3-5-22(9-18)34-15-21(32)13-27-2;1-17-23(18-7-10-27-11-8-18)28-24(29-25(17)30(3)20-9-12-32-15-20)19-5-4-6-22(13-19)33-16-21(31)14-26-2;1-17-23(12-18-6-9-31-15-18)27-25(28-24(17)19-7-10-30-11-8-19)20-4-3-5-22(13-20)32-16-21(29)14-26-2;1-16-21(11-17-8-10-31-14-17)27-24(28-23(16)22-7-9-26-29(22)3)18-5-4-6-20(12-18)32-15-19(30)13-25-2;1-15-20(9-16-7-8-31-13-16)25-23(26-22(15)21-12-29(3)28-27-21)17-5-4-6-19(10-17)32-14-18(30)11-24-2;1-15-21(8-16-6-7-30-13-16)27-23(28-22(15)18-10-25-26-11-18)17-4-3-5-20(9-17)31-14-19(29)12-24-2/h10-12,18-19,22,29,33H,3-9,13-16H2,1-2H3,(H,30,34);3-5,13,19-20,22,28,32H,6-12,14-17H2,1-2H3,(H,29,33);4-7,9,11-12,19-20,27,32H,8,10,13-15H2,1-3H3,(H,29,30,31);3-5,8-9,11-12,20-21,27,32H,6-7,13-15H2,1-2H3,(H,29,30,31);4-8,10-11,13,20-21,26,31H,9,12,14-16H2,1-3H3;3-5,13,18-19,21,26,29H,6-12,14-16H2,1-2H3;4-7,9,12,17,19,25,30H,8,10-11,13-15H2,1-3H3;4-6,10,12,16,18,24,30H,7-9,11,13-14H2,1-3H3;3-5,9-11,16,19,24,29H,6-8,12-14H2,1-2H3,(H,25,26)/t19-,22?;20-,22?;19-,20?;2*20-,21?;18-,21?;17-,19?;;16-,19?/m0011110.0/s1.
What are the key properties of 2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;5-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[5-methyl-4-[methyl-[(3R)-oxolan-3-yl]amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(2-methylpyrazol-3-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(1-methyltriazol-4-yl)-6-(oxolan-3-ylmethyl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(oxan-4-yl)-6-[[(3S)-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-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-2-carboxylate?
2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;5-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[5-methyl-4-[methyl-[(3R)-oxolan-3-yl]amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(2-methylpyrazol-3-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(1-methyltriazol-4-yl)-6-(oxolan-3-ylmethyl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(oxan-4-yl)-6-[[(3S)-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-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-2-carboxylate has a molecular weight of 4176.51 g/mol, XLogP of 22.09, 86 rotatable bonds, 23 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-N-(oxan-4-ylmethyl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidine-4-carboxamide;5-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile;1-(methylamino)-3-[3-[5-methyl-4-[methyl-[(3R)-oxolan-3-yl]amino]-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(2-methylpyrazol-3-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(1-methyltriazol-4-yl)-6-(oxolan-3-ylmethyl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(oxan-4-yl)-6-[[(3S)-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-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;methyl 4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methyl-6-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridine-2-carboxylate is sourced from PubChem (CID 158090168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).