1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[(3S)-4-ethylsulfonyl-3-methylpiperazin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pyridine-2-carbonitrile;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methylsulfonylphenyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

C137H187N27O14S3 — CID 159750432

IUPAC1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[(3S)-4-ethylsulfonyl-3-methylpiperazin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pyridine-2-carbonitrile;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methylsulfonylphenyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCCS(=O)(=O)N1CCN(c2cc(N(C)C3CCCCC3)nc(-c3cccc(OCC(O)CNC)c3)n2)C[C@@H]1C.CNCC(O)COc1cccc(-c2nc(-c3c(C)nn(C(C)C)c3C)cc(N(C)C3CCCCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)cc(N(C)C3CCCCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3ccnc(C#N)c3)cc(N(C)C3CCCCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3scnc3C)cc(N(C)C3CCCCC3)n2)c1
InChIInChI=1S/C29H42N6O2.C28H44N6O4S.C28H36N4O4S.C27H32N6O2.C25H33N5O2S/c1-19(2)35-21(4)28(20(3)33-35)26-16-27(34(6)23-12-8-7-9-13-23)32-29(31-26)22-11-10-14-25(15-22)37-18-24(36)17-30-5;1-5-39(36,37)34-15-14-33(19-21(34)2)27-17-26(32(4)23-11-7-6-8-12-23)30-28(31-27)22-10-9-13-25(16-22)38-20-24(35)18-29-3;1-29-18-23(33)19-36-24-11-7-8-21(16-24)28-30-26(20-12-14-25(15-13-20)37(3,34)35)17-27(31-28)32(2)22-9-5-4-6-10-22;1-29-17-23(34)18-35-24-10-6-7-20(14-24)27-31-25(19-11-12-30-21(13-19)16-28)15-26(32-27)33(2)22-8-4-3-5-9-22;1-17-24(33-16-27-17)22-13-23(30(3)19-9-5-4-6-10-19)29-25(28-22)18-8-7-11-21(12-18)32-15-20(31)14-26-2/h10-11,14-16,19,23-24,30,36H,7-9,12-13,17-18H2,1-6H3;9-10,13,16-17,21,23-24,29,35H,5-8,11-12,14-15,18-20H2,1-4H3;7-8,11-17,22-23,29,33H,4-6,9-10,18-19H2,1-3H3;6-7,10-15,22-23,29,34H,3-5,8-9,17-18H2,1-2H3;7-8,11-13,16,19-20,26,31H,4-6,9-10,14-15H2,1-3H3/t;21-,24?;;;/m.0.../s1
InChIKeyNDOUAWIEWIVAMG-LNGWLTQXSA-N
MW2532.38 g/mol
LogP19.72
Rot. Bonds49

About 1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[(3S)-4-ethylsulfonyl-3-methylpiperazin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pyridine-2-carbonitrile;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methylsulfonylphenyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[(3S)-4-ethylsulfonyl-3-methylpiperazin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pyridine-2-carbonitrile;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methylsulfonylphenyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol (PubChem CID 159750432) has the molecular formula C137H187N27O14S3 and a molecular weight of 2532.38 g/mol. Its IUPAC name is 1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[(3S)-4-ethylsulfonyl-3-methylpiperazin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pyridine-2-carbonitrile;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methylsulfonylphenyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[(3S)-4-ethylsulfonyl-3-methylpiperazin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pyridine-2-carbonitrile;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methylsulfonylphenyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
PubChem CID159750432
Molecular FormulaC137H187N27O14S3
Molecular Weight2532.38 g/mol
Exact Mass2530.39
IUPAC Name1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[(3S)-4-ethylsulfonyl-3-methylpiperazin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pyridine-2-carbonitrile;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methylsulfonylphenyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCCS(=O)(=O)N1CCN(c2cc(N(C)C3CCCCC3)nc(-c3cccc(OCC(O)CNC)c3)n2)C[C@@H]1C.CNCC(O)COc1cccc(-c2nc(-c3c(C)nn(C(C)C)c3C)cc(N(C)C3CCCCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)cc(N(C)C3CCCCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3ccnc(C#N)c3)cc(N(C)C3CCCCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3scnc3C)cc(N(C)C3CCCCC3)n2)c1
InChIInChI=1S/C29H42N6O2.C28H44N6O4S.C28H36N4O4S.C27H32N6O2.C25H33N5O2S/c1-19(2)35-21(4)28(20(3)33-35)26-16-27(34(6)23-12-8-7-9-13-23)32-29(31-26)22-11-10-14-25(15-22)37-18-24(36)17-30-5;1-5-39(36,37)34-15-14-33(19-21(34)2)27-17-26(32(4)23-11-7-6-8-12-23)30-28(31-27)22-10-9-13-25(16-22)38-20-24(35)18-29-3;1-29-18-23(33)19-36-24-11-7-8-21(16-24)28-30-26(20-12-14-25(15-13-20)37(3,34)35)17-27(31-28)32(2)22-9-5-4-6-10-22;1-29-17-23(34)18-35-24-10-6-7-20(14-24)27-31-25(19-11-12-30-21(13-19)16-28)15-26(32-27)33(2)22-8-4-3-5-9-22;1-17-24(33-16-27-17)22-13-23(30(3)19-9-5-4-6-10-19)29-25(28-22)18-8-7-11-21(12-18)32-15-20(31)14-26-2/h10-11,14-16,19,23-24,30,36H,7-9,12-13,17-18H2,1-6H3;9-10,13,16-17,21,23-24,29,35H,5-8,11-12,14-15,18-20H2,1-4H3;7-8,11-17,22-23,29,33H,4-6,9-10,18-19H2,1-3H3;6-7,10-15,22-23,29,34H,3-5,8-9,17-18H2,1-2H3;7-8,11-13,16,19-20,26,31H,4-6,9-10,14-15H2,1-3H3/t;21-,24?;;;/m.0.../s1
InChIKeyNDOUAWIEWIVAMG-LNGWLTQXSA-N
XLogP19.72
TPSA494.70 Ų
H-Bond Donors10
H-Bond Acceptors41
Rotatable Bonds49
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002532.38
LogP ≤ 519.72
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1041

Analyze 1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[(3S)-4-ethylsulfonyl-3-methylpiperazin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pyridine-2-carbonitrile;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methylsulfonylphenyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol with MolForge

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Related Compounds

1-[4-[2-[3-[2-Hydroxy-3-(methylamino)propoxy]phenyl]-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-4-yl]butyl]pyrrolidin-2-one;1-[3-[4-(2-methoxy-4-pyridinyl)-6-pentylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[4-(4-methylsulfonylphenyl)-6-pentylpyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-pentyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]phenoxy]propan-2-ol
CID 157433162
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
5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;2-tert-butyl-1-methylpyrrole;1-tert-butylpyrazole;4-(5-tert-butyl-1,3-thiazol-2-yl)morpholine;N,N-dimethyl-4-propan-2-ylaniline;2-methoxy-4-propan-2-ylphenol;2-methoxy-N-[(3-propan-2-ylphenyl)methyl]ethanamine;4-(4-methylpentyl)morpholine;1-methylsulfonyl-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(3-propan-2-ylphenyl)methyl]ethanamine;4-propan-2-ylphenol;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine
CID 161601536
bis(N-(4-fluorophenyl)-6-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine);N-(4-fluorophenyl)-6-methyl-2-[4-(4-propoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine;bis(4-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1,3-thiazol-5-yl)pyrimidin-4-yl]amino]benzonitrile)
CID 161684986

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[(3S)-4-ethylsulfonyl-3-methylpiperazin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pyridine-2-carbonitrile;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methylsulfonylphenyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[(3S)-4-ethylsulfonyl-3-methylpiperazin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pyridine-2-carbonitrile;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methylsulfonylphenyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol (CID 159750432) is 1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[(3S)-4-ethylsulfonyl-3-methylpiperazin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pyridine-2-carbonitrile;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methylsulfonylphenyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[(3S)-4-ethylsulfonyl-3-methylpiperazin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pyridine-2-carbonitrile;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methylsulfonylphenyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[(3S)-4-ethylsulfonyl-3-methylpiperazin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pyridine-2-carbonitrile;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methylsulfonylphenyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol is CCS(=O)(=O)N1CCN(c2cc(N(C)C3CCCCC3)nc(-c3cccc(OCC(O)CNC)c3)n2)C[C@@H]1C.CNCC(O)COc1cccc(-c2nc(-c3c(C)nn(C(C)C)c3C)cc(N(C)C3CCCCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)cc(N(C)C3CCCCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3ccnc(C#N)c3)cc(N(C)C3CCCCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(-c3scnc3C)cc(N(C)C3CCCCC3)n2)c1.
What is the InChIKey of 1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[(3S)-4-ethylsulfonyl-3-methylpiperazin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pyridine-2-carbonitrile;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methylsulfonylphenyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
The InChIKey is NDOUAWIEWIVAMG-LNGWLTQXSA-N. The full InChI is InChI=1S/C29H42N6O2.C28H44N6O4S.C28H36N4O4S.C27H32N6O2.C25H33N5O2S/c1-19(2)35-21(4)28(20(3)33-35)26-16-27(34(6)23-12-8-7-9-13-23)32-29(31-26)22-11-10-14-25(15-22)37-18-24(36)17-30-5;1-5-39(36,37)34-15-14-33(19-21(34)2)27-17-26(32(4)23-11-7-6-8-12-23)30-28(31-27)22-10-9-13-25(16-22)38-20-24(35)18-29-3;1-29-18-23(33)19-36-24-11-7-8-21(16-24)28-30-26(20-12-14-25(15-13-20)37(3,34)35)17-27(31-28)32(2)22-9-5-4-6-10-22;1-29-17-23(34)18-35-24-10-6-7-20(14-24)27-31-25(19-11-12-30-21(13-19)16-28)15-26(32-27)33(2)22-8-4-3-5-9-22;1-17-24(33-16-27-17)22-13-23(30(3)19-9-5-4-6-10-19)29-25(28-22)18-8-7-11-21(12-18)32-15-20(31)14-26-2/h10-11,14-16,19,23-24,30,36H,7-9,12-13,17-18H2,1-6H3;9-10,13,16-17,21,23-24,29,35H,5-8,11-12,14-15,18-20H2,1-4H3;7-8,11-17,22-23,29,33H,4-6,9-10,18-19H2,1-3H3;6-7,10-15,22-23,29,34H,3-5,8-9,17-18H2,1-2H3;7-8,11-13,16,19-20,26,31H,4-6,9-10,14-15H2,1-3H3/t;21-,24?;;;/m.0.../s1.
What are the key properties of 1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[(3S)-4-ethylsulfonyl-3-methylpiperazin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pyridine-2-carbonitrile;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methylsulfonylphenyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[(3S)-4-ethylsulfonyl-3-methylpiperazin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pyridine-2-carbonitrile;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methylsulfonylphenyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 2532.38 g/mol, XLogP of 19.72, 49 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[(3S)-4-ethylsulfonyl-3-methylpiperazin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;4-[6-[cyclohexyl(methyl)amino]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pyridine-2-carbonitrile;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methylsulfonylphenyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 159750432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).