4-[[2-(hexan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(5-hydroxypentan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[(2S)-pentan-2-yl]amino]-5-[5-[(1-propan-2-ylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol

C136H207F3N32O6 — CID 157178366

IUPAC4-[[2-(hexan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(5-hydroxypentan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[(2S)-pentan-2-yl]amino]-5-[5-[(1-propan-2-ylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCC(CCCO)Nc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1.CCCCC(C)Nc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1.CCC[C@@H](Nc1ncc(-c2ccc(C=C3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1)C(F)(F)F.CCC[C@H](C)Nc1ncc(-c2ccc(C=C3CCN(C(C)C)CC3)cn2)c(NC2CCC(O)CC2)n1.CCC[C@H](C)Nc1ncc(-c2ccc(CC3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C29H44N6O.C27H37F3N6O.C27H43N7O.C27H42N6O.C26H41N7O2/c1-5-6-21(4)32-29-31-19-26(28(34-29)33-24-8-10-25(36)11-9-24)27-12-7-23(18-30-27)17-22-13-15-35(16-14-22)20(2)3;1-3-4-24(27(28,29)30)34-26-32-17-22(25(35-26)33-20-6-8-21(37)9-7-20)23-10-5-19(16-31-23)15-18-11-13-36(2)14-12-18;1-4-5-6-20(2)30-27-29-18-24(26(32-27)31-22-8-10-23(35)11-9-22)25-12-7-21(17-28-25)19-34-15-13-33(3)14-16-34;1-4-5-19(2)30-27-29-18-24(26(32-27)31-22-7-9-23(34)10-8-22)25-11-6-21(17-28-25)16-20-12-14-33(3)15-13-20;1-19(4-3-15-34)29-26-28-17-23(25(31-26)30-21-6-8-22(35)9-7-21)24-10-5-20(16-27-24)18-33-13-11-32(2)12-14-33/h7,12,17-21,24-25,36H,5-6,8-11,13-16H2,1-4H3,(H2,31,32,33,34);5,10,15-17,20-21,24,37H,3-4,6-9,11-14H2,1-2H3,(H2,32,33,34,35);7,12,17-18,20,22-23,35H,4-6,8-11,13-16,19H2,1-3H3,(H2,29,30,31,32);6,11,17-20,22-23,34H,4-5,7-10,12-16H2,1-3H3,(H2,29,30,31,32);5,10,16-17,19,21-22,34-35H,3-4,6-9,11-15,18H2,1-2H3,(H2,28,29,30,31)/t21-,24?,25?;20?,21?,24-;;19-,22?,23?;/m01.0./s1
InChIKeyAOHAMYKMDIBZGY-HNYNLNMTSA-N
MW2443.36 g/mol
LogP22.55
Rot. Bonds46

About 4-[[2-(hexan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(5-hydroxypentan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[(2S)-pentan-2-yl]amino]-5-[5-[(1-propan-2-ylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[2-(hexan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(5-hydroxypentan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[(2S)-pentan-2-yl]amino]-5-[5-[(1-propan-2-ylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 157178366) has the molecular formula C136H207F3N32O6 and a molecular weight of 2443.36 g/mol. Its IUPAC name is 4-[[2-(hexan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(5-hydroxypentan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[(2S)-pentan-2-yl]amino]-5-[5-[(1-propan-2-ylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(hexan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(5-hydroxypentan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[(2S)-pentan-2-yl]amino]-5-[5-[(1-propan-2-ylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID157178366
Molecular FormulaC136H207F3N32O6
Molecular Weight2443.36 g/mol
Exact Mass2441.68
IUPAC Name4-[[2-(hexan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(5-hydroxypentan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[(2S)-pentan-2-yl]amino]-5-[5-[(1-propan-2-ylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCC(CCCO)Nc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1.CCCCC(C)Nc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1.CCC[C@@H](Nc1ncc(-c2ccc(C=C3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1)C(F)(F)F.CCC[C@H](C)Nc1ncc(-c2ccc(C=C3CCN(C(C)C)CC3)cn2)c(NC2CCC(O)CC2)n1.CCC[C@H](C)Nc1ncc(-c2ccc(CC3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C29H44N6O.C27H37F3N6O.C27H43N7O.C27H42N6O.C26H41N7O2/c1-5-6-21(4)32-29-31-19-26(28(34-29)33-24-8-10-25(36)11-9-24)27-12-7-23(18-30-27)17-22-13-15-35(16-14-22)20(2)3;1-3-4-24(27(28,29)30)34-26-32-17-22(25(35-26)33-20-6-8-21(37)9-7-20)23-10-5-19(16-31-23)15-18-11-13-36(2)14-12-18;1-4-5-6-20(2)30-27-29-18-24(26(32-27)31-22-8-10-23(35)11-9-22)25-12-7-21(17-28-25)19-34-15-13-33(3)14-16-34;1-4-5-19(2)30-27-29-18-24(26(32-27)31-22-7-9-23(34)10-8-22)25-11-6-21(17-28-25)16-20-12-14-33(3)15-13-20;1-19(4-3-15-34)29-26-28-17-23(25(31-26)30-21-6-8-22(35)9-7-21)24-10-5-20(16-27-24)18-33-13-11-32(2)12-14-33/h7,12,17-21,24-25,36H,5-6,8-11,13-16H2,1-4H3,(H2,31,32,33,34);5,10,15-17,20-21,24,37H,3-4,6-9,11-14H2,1-2H3,(H2,32,33,34,35);7,12,17-18,20,22-23,35H,4-6,8-11,13-16,19H2,1-3H3,(H2,29,30,31,32);6,11,17-20,22-23,34H,4-5,7-10,12-16H2,1-3H3,(H2,29,30,31,32);5,10,16-17,19,21-22,34-35H,3-4,6-9,11-15,18H2,1-2H3,(H2,28,29,30,31)/t21-,24?,25?;20?,21?,24-;;19-,22?,23?;/m01.0./s1
InChIKeyAOHAMYKMDIBZGY-HNYNLNMTSA-N
XLogP22.55
TPSA457.71 Ų
H-Bond Donors16
H-Bond Acceptors38
Rotatable Bonds46
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002443.36
LogP ≤ 522.55
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1038

Analyze 4-[[2-(hexan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(5-hydroxypentan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[(2S)-pentan-2-yl]amino]-5-[5-[(1-propan-2-ylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol 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

4-[[2-(Butylamino)-5-[5-[(cyclohexylamino)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792907
4-[[2-(Butylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793607
trans-4-((2-(Butylamino)-5-(4-(morpholinomethyl)pyridin-2-yl)pyrimidin-4-yl)amino)cyclohexanol
CID 72792560
4-[[2-(Butylamino)-5-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792561
4-[[2-(Butylamino)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-2-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792562
4-[[2-(Benzylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793110
4-[[2-(2-Phenylethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793111
4-[[2-(Butylamino)-5-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793606
Egfr-IN-5
CID 134817166
4-[[4-[Difluoro-(4-fluorophenyl)methyl]-6-(isoquinolin-3-ylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 72705468
[1-[2-Anilino-6-[[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]amino]pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]methanol
CID 145975646
4-[[5-[5-(Pyrrolidin-1-ylmethyl)pyridin-2-yl]-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118441531

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hexan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(5-hydroxypentan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[(2S)-pentan-2-yl]amino]-5-[5-[(1-propan-2-ylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(hexan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(5-hydroxypentan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[(2S)-pentan-2-yl]amino]-5-[5-[(1-propan-2-ylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 157178366) is 4-[[2-(hexan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(5-hydroxypentan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[(2S)-pentan-2-yl]amino]-5-[5-[(1-propan-2-ylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(hexan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(5-hydroxypentan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[(2S)-pentan-2-yl]amino]-5-[5-[(1-propan-2-ylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(hexan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(5-hydroxypentan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[(2S)-pentan-2-yl]amino]-5-[5-[(1-propan-2-ylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol is CC(CCCO)Nc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1.CCCCC(C)Nc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1.CCC[C@@H](Nc1ncc(-c2ccc(C=C3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1)C(F)(F)F.CCC[C@H](C)Nc1ncc(-c2ccc(C=C3CCN(C(C)C)CC3)cn2)c(NC2CCC(O)CC2)n1.CCC[C@H](C)Nc1ncc(-c2ccc(CC3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[2-(hexan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(5-hydroxypentan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[(2S)-pentan-2-yl]amino]-5-[5-[(1-propan-2-ylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is AOHAMYKMDIBZGY-HNYNLNMTSA-N. The full InChI is InChI=1S/C29H44N6O.C27H37F3N6O.C27H43N7O.C27H42N6O.C26H41N7O2/c1-5-6-21(4)32-29-31-19-26(28(34-29)33-24-8-10-25(36)11-9-24)27-12-7-23(18-30-27)17-22-13-15-35(16-14-22)20(2)3;1-3-4-24(27(28,29)30)34-26-32-17-22(25(35-26)33-20-6-8-21(37)9-7-20)23-10-5-19(16-31-23)15-18-11-13-36(2)14-12-18;1-4-5-6-20(2)30-27-29-18-24(26(32-27)31-22-8-10-23(35)11-9-22)25-12-7-21(17-28-25)19-34-15-13-33(3)14-16-34;1-4-5-19(2)30-27-29-18-24(26(32-27)31-22-7-9-23(34)10-8-22)25-11-6-21(17-28-25)16-20-12-14-33(3)15-13-20;1-19(4-3-15-34)29-26-28-17-23(25(31-26)30-21-6-8-22(35)9-7-21)24-10-5-20(16-27-24)18-33-13-11-32(2)12-14-33/h7,12,17-21,24-25,36H,5-6,8-11,13-16H2,1-4H3,(H2,31,32,33,34);5,10,15-17,20-21,24,37H,3-4,6-9,11-14H2,1-2H3,(H2,32,33,34,35);7,12,17-18,20,22-23,35H,4-6,8-11,13-16,19H2,1-3H3,(H2,29,30,31,32);6,11,17-20,22-23,34H,4-5,7-10,12-16H2,1-3H3,(H2,29,30,31,32);5,10,16-17,19,21-22,34-35H,3-4,6-9,11-15,18H2,1-2H3,(H2,28,29,30,31)/t21-,24?,25?;20?,21?,24-;;19-,22?,23?;/m01.0./s1.
What are the key properties of 4-[[2-(hexan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(5-hydroxypentan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[(2S)-pentan-2-yl]amino]-5-[5-[(1-propan-2-ylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-(hexan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(5-hydroxypentan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[(2S)-pentan-2-yl]amino]-5-[5-[(1-propan-2-ylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 2443.36 g/mol, XLogP of 22.55, 46 rotatable bonds, 16 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hexan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(5-hydroxypentan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[(2S)-pentan-2-yl]amino]-5-[5-[(1-propan-2-ylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 157178366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).