1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(4-cyclopropylpiperazin-1-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(4-pentyl-6-pyrimidin-5-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-phenyl-6-(piperidin-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propan-2-ol

C128H177N27O14S — CID 158709510

IUPAC1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(4-cyclopropylpiperazin-1-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(4-pentyl-6-pyrimidin-5-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-phenyl-6-(piperidin-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propan-2-ol
SMILESCCCCCc1cc(-c2cncnc2)nc(-c2cccc(OCC(O)CNC)c2)n1.CNCC(O)COc1cccc(-c2nc(CC3CCCCC3)c(C)c(-c3c(C)n[nH]c3C)n2)c1.CNCC(O)COc1cccc(-c2nc(NC3CCOCC3)c(C)c(N3CCN(C4CC4)CC3)n2)c1.CNCC(O)COc1cccc(-c2nc(NC3CCOCC3)c(C)c(N3CCN(S(C)(=O)=O)CC3)n2)c1.CNCC(O)COc1cccc(-c2nc(NCC3CCNCC3)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C27H40N6O3.C27H37N5O2.C26H33N5O2.C25H38N6O5S.C23H29N5O2/c1-19-25(29-21-8-14-35-15-9-21)30-26(20-4-3-5-24(16-20)36-18-23(34)17-28-2)31-27(19)33-12-10-32(11-13-33)22-6-7-22;1-17-24(13-20-9-6-5-7-10-20)29-27(30-26(17)25-18(2)31-32-19(25)3)21-11-8-12-23(14-21)34-16-22(33)15-28-4;1-27-17-22(32)18-33-23-9-5-8-21(14-23)26-30-24(20-6-3-2-4-7-20)15-25(31-26)29-16-19-10-12-28-13-11-19;1-18-23(27-20-7-13-35-14-8-20)28-24(19-5-4-6-22(15-19)36-17-21(32)16-26-2)29-25(18)30-9-11-31(12-10-30)37(3,33)34;1-3-4-5-8-19-11-22(18-12-25-16-26-13-18)28-23(27-19)17-7-6-9-21(10-17)30-15-20(29)14-24-2/h3-5,16,21-23,28,34H,6-15,17-18H2,1-2H3,(H,29,30,31);8,11-12,14,20,22,28,33H,5-7,9-10,13,15-16H2,1-4H3,(H,31,32);2-9,14-15,19,22,27-28,32H,10-13,16-18H2,1H3,(H,29,30,31);4-6,15,20-21,26,32H,7-14,16-17H2,1-3H3,(H,27,28,29);6-7,9-13,16,20,24,29H,3-5,8,14-15H2,1-2H3
InChIKeyIINUNODONLIJJX-UHFFFAOYSA-N
MW2350.07 g/mol
LogP14.38
Rot. Bonds50

About 1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(4-cyclopropylpiperazin-1-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(4-pentyl-6-pyrimidin-5-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-phenyl-6-(piperidin-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propan-2-ol

1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(4-cyclopropylpiperazin-1-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(4-pentyl-6-pyrimidin-5-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-phenyl-6-(piperidin-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propan-2-ol (PubChem CID 158709510) has the molecular formula C128H177N27O14S and a molecular weight of 2350.07 g/mol. Its IUPAC name is 1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(4-cyclopropylpiperazin-1-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(4-pentyl-6-pyrimidin-5-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-phenyl-6-(piperidin-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(4-cyclopropylpiperazin-1-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(4-pentyl-6-pyrimidin-5-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-phenyl-6-(piperidin-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propan-2-ol
PubChem CID158709510
Molecular FormulaC128H177N27O14S
Molecular Weight2350.07 g/mol
Exact Mass2348.37
IUPAC Name1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(4-cyclopropylpiperazin-1-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(4-pentyl-6-pyrimidin-5-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-phenyl-6-(piperidin-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propan-2-ol
SMILESCCCCCc1cc(-c2cncnc2)nc(-c2cccc(OCC(O)CNC)c2)n1.CNCC(O)COc1cccc(-c2nc(CC3CCCCC3)c(C)c(-c3c(C)n[nH]c3C)n2)c1.CNCC(O)COc1cccc(-c2nc(NC3CCOCC3)c(C)c(N3CCN(C4CC4)CC3)n2)c1.CNCC(O)COc1cccc(-c2nc(NC3CCOCC3)c(C)c(N3CCN(S(C)(=O)=O)CC3)n2)c1.CNCC(O)COc1cccc(-c2nc(NCC3CCNCC3)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C27H40N6O3.C27H37N5O2.C26H33N5O2.C25H38N6O5S.C23H29N5O2/c1-19-25(29-21-8-14-35-15-9-21)30-26(20-4-3-5-24(16-20)36-18-23(34)17-28-2)31-27(19)33-12-10-32(11-13-33)22-6-7-22;1-17-24(13-20-9-6-5-7-10-20)29-27(30-26(17)25-18(2)31-32-19(25)3)21-11-8-12-23(14-21)34-16-22(33)15-28-4;1-27-17-22(32)18-33-23-9-5-8-21(14-23)26-30-24(20-6-3-2-4-7-20)15-25(31-26)29-16-19-10-12-28-13-11-19;1-18-23(27-20-7-13-35-14-8-20)28-24(19-5-4-6-22(15-19)36-17-21(32)16-26-2)29-25(18)30-9-11-31(12-10-30)37(3,33)34;1-3-4-5-8-19-11-22(18-12-25-16-26-13-18)28-23(27-19)17-7-6-9-21(10-17)30-15-20(29)14-24-2/h3-5,16,21-23,28,34H,6-15,17-18H2,1-2H3,(H,29,30,31);8,11-12,14,20,22,28,33H,5-7,9-10,13,15-16H2,1-4H3,(H,31,32);2-9,14-15,19,22,27-28,32H,10-13,16-18H2,1H3,(H,29,30,31);4-6,15,20-21,26,32H,7-14,16-17H2,1-3H3,(H,27,28,29);6-7,9-13,16,20,24,29H,3-5,8,14-15H2,1-2H3
InChIKeyIINUNODONLIJJX-UHFFFAOYSA-N
XLogP14.38
TPSA504.49 Ų
H-Bond Donors15
H-Bond Acceptors39
Rotatable Bonds50
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002350.07
LogP ≤ 514.38
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(4-cyclopropylpiperazin-1-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(4-pentyl-6-pyrimidin-5-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-phenyl-6-(piperidin-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propan-2-ol with MolForge

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Related Compounds

3-[[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]cyclobutan-1-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(1H-imidazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[methyl-(2-methylpyrimidin-5-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[methyl-[2-(trifluoromethyl)pyrimidin-5-yl]amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 158888972
2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-4-N-(4,4-difluorocyclohexyl)-5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]pyridine-2,4-diamine
CID 167426266
2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-4-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]pyridine-2,4-diamine
CID 167426291
2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-4-N-[1-(2-fluoroethyl)piperidin-3-yl]-5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]pyridine-2,4-diamine
CID 167426338
[4-[[2-[[2-(1-Cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol
CID 167426376
2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-4-N-[1-(2-fluoroethyl)piperidin-4-yl]-5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]pyridine-2,4-diamine
CID 167426393
2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)-5-fluoropyrimidin-4-yl]-4-N-(4-fluorocyclohexyl)-5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]pyridine-2,4-diamine
CID 167426448
2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-4-N-(4-fluorocyclohexyl)-5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]pyridine-2,4-diamine
CID 167426449
4-[[2-[[2-(1-Cyclopropylsulfonylpyrazol-4-yl)-5-fluoropyrimidin-4-yl]amino]-5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 171572499
4-[[2-[[2-(1-Cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-[5-[1-(2-fluoroethyl)piperidin-4-yl]oxy-2-pyridinyl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 171572524
1-[3-[4-[2-[2-[[6-[4-(2,2-Difluoroethyl)piperazin-1-yl]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]-(oxan-4-yl)amino]ethyl]-3-methylimidazol-4-yl]-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]-4-[3-[4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropyl]phenoxy]-3-(methylamino)propan-2-ol
CID 162575240
1-[3-[4-(2,3-Dimethylimidazol-4-yl)-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]-4-[3-[4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropyl]phenoxy]-3-(methylamino)propan-2-ol
CID 123187083

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(4-cyclopropylpiperazin-1-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(4-pentyl-6-pyrimidin-5-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-phenyl-6-(piperidin-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propan-2-ol?
The IUPAC name of 1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(4-cyclopropylpiperazin-1-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(4-pentyl-6-pyrimidin-5-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-phenyl-6-(piperidin-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propan-2-ol (CID 158709510) is 1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(4-cyclopropylpiperazin-1-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(4-pentyl-6-pyrimidin-5-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-phenyl-6-(piperidin-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(4-cyclopropylpiperazin-1-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(4-pentyl-6-pyrimidin-5-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-phenyl-6-(piperidin-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(4-cyclopropylpiperazin-1-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(4-pentyl-6-pyrimidin-5-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-phenyl-6-(piperidin-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propan-2-ol is CCCCCc1cc(-c2cncnc2)nc(-c2cccc(OCC(O)CNC)c2)n1.CNCC(O)COc1cccc(-c2nc(CC3CCCCC3)c(C)c(-c3c(C)n[nH]c3C)n2)c1.CNCC(O)COc1cccc(-c2nc(NC3CCOCC3)c(C)c(N3CCN(C4CC4)CC3)n2)c1.CNCC(O)COc1cccc(-c2nc(NC3CCOCC3)c(C)c(N3CCN(S(C)(=O)=O)CC3)n2)c1.CNCC(O)COc1cccc(-c2nc(NCC3CCNCC3)cc(-c3ccccc3)n2)c1.
What is the InChIKey of 1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(4-cyclopropylpiperazin-1-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(4-pentyl-6-pyrimidin-5-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-phenyl-6-(piperidin-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propan-2-ol?
The InChIKey is IINUNODONLIJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N6O3.C27H37N5O2.C26H33N5O2.C25H38N6O5S.C23H29N5O2/c1-19-25(29-21-8-14-35-15-9-21)30-26(20-4-3-5-24(16-20)36-18-23(34)17-28-2)31-27(19)33-12-10-32(11-13-33)22-6-7-22;1-17-24(13-20-9-6-5-7-10-20)29-27(30-26(17)25-18(2)31-32-19(25)3)21-11-8-12-23(14-21)34-16-22(33)15-28-4;1-27-17-22(32)18-33-23-9-5-8-21(14-23)26-30-24(20-6-3-2-4-7-20)15-25(31-26)29-16-19-10-12-28-13-11-19;1-18-23(27-20-7-13-35-14-8-20)28-24(19-5-4-6-22(15-19)36-17-21(32)16-26-2)29-25(18)30-9-11-31(12-10-30)37(3,33)34;1-3-4-5-8-19-11-22(18-12-25-16-26-13-18)28-23(27-19)17-7-6-9-21(10-17)30-15-20(29)14-24-2/h3-5,16,21-23,28,34H,6-15,17-18H2,1-2H3,(H,29,30,31);8,11-12,14,20,22,28,33H,5-7,9-10,13,15-16H2,1-4H3,(H,31,32);2-9,14-15,19,22,27-28,32H,10-13,16-18H2,1H3,(H,29,30,31);4-6,15,20-21,26,32H,7-14,16-17H2,1-3H3,(H,27,28,29);6-7,9-13,16,20,24,29H,3-5,8,14-15H2,1-2H3.
What are the key properties of 1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(4-cyclopropylpiperazin-1-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(4-pentyl-6-pyrimidin-5-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-phenyl-6-(piperidin-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propan-2-ol?
1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(4-cyclopropylpiperazin-1-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(4-pentyl-6-pyrimidin-5-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-phenyl-6-(piperidin-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propan-2-ol has a molecular weight of 2350.07 g/mol, XLogP of 14.38, 50 rotatable bonds, 15 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(4-cyclopropylpiperazin-1-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-(4-pentyl-6-pyrimidin-5-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-phenyl-6-(piperidin-4-ylmethylamino)pyrimidin-2-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 158709510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).