4-[[5-[5-[(cyclopropylmethylamino)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-(ethylaminomethyl)-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;6-[4-[(4-hydroxycyclohexyl)amino]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[5-[5-[(1-methylpyrrolidin-2-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpyrrolidin-3-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol

C179H275N43O8 — CID 162212461

IUPAC4-[[5-[5-[(cyclopropylmethylamino)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-(ethylaminomethyl)-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;6-[4-[(4-hydroxycyclohexyl)amino]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[5-[5-[(1-methylpyrrolidin-2-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpyrrolidin-3-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCC[C@H](C)Nc1ncc(-c2ccc(C(=O)NC3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1.CCC[C@H](C)Nc1ncc(-c2ccc(CC3CCCN3C)cn2)c(NC2CCC(O)CC2)n1.CCC[C@H](C)Nc1ncc(-c2ccc(CC3CCN(C)C3)cn2)c(NC2CCC(O)CC2)n1.CCC[C@H](C)Nc1ncc(-c2ccc(CNCC)cn2)c(NC2CCC(O)CC2)n1.CCC[C@H](C)Nc1ncc(-c2ccc(CNCC3CC3)cn2)c(NC2CCC(O)CC2)n1.CCC[C@H](C)Nc1ncc(-c2ccc(C[C@@H]3CCCN3C)cn2)c(NC2CCC(O)CC2)n1.CCC[C@H](C)Nc1ncc(-c2ccc(C[C@H]3CCCN3C)cn2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C27H41N7O2.4C26H40N6O.C25H38N6O.C23H36N6O/c1-4-5-18(2)30-27-29-17-23(25(33-27)31-20-7-9-22(35)10-8-20)24-11-6-19(16-28-24)26(36)32-21-12-14-34(3)15-13-21;3*1-4-6-18(2)29-26-28-17-23(25(31-26)30-20-9-11-22(33)12-10-20)24-13-8-19(16-27-24)15-21-7-5-14-32(21)3;1-4-5-18(2)29-26-28-16-23(25(31-26)30-21-7-9-22(33)10-8-21)24-11-6-19(15-27-24)14-20-12-13-32(3)17-20;1-3-4-17(2)29-25-28-16-22(24(31-25)30-20-8-10-21(32)11-9-20)23-12-7-19(15-27-23)14-26-13-18-5-6-18;1-4-6-16(3)27-23-26-15-20(21-12-7-17(14-25-21)13-24-5-2)22(29-23)28-18-8-10-19(30)11-9-18/h6,11,16-18,20-22,35H,4-5,7-10,12-15H2,1-3H3,(H,32,36)(H2,29,30,31,33);3*8,13,16-18,20-22,33H,4-7,9-12,14-15H2,1-3H3,(H2,28,29,30,31);6,11,15-16,18,20-22,33H,4-5,7-10,12-14,17H2,1-3H3,(H2,28,29,30,31);7,12,15-18,20-21,26,32H,3-6,8-11,13-14H2,1-2H3,(H2,28,29,30,31);7,12,14-16,18-19,24,30H,4-6,8-11,13H2,1-3H3,(H2,26,27,28,29)/t18-,20?,22?;18-,20?,21?,22?;18-,20?,21+,22?;18-,20?,21-,22?;18-,20?,21?,22?;17-,20?,21?;16-,18?,19?/m0000000/s1
InChIKeyZTAMRUPXARWCEU-TZNXVQJTSA-N
MW3157.46 g/mol
LogP29.82
Rot. Bonds66

About 4-[[5-[5-[(cyclopropylmethylamino)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-(ethylaminomethyl)-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;6-[4-[(4-hydroxycyclohexyl)amino]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[5-[5-[(1-methylpyrrolidin-2-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpyrrolidin-3-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[5-[5-[(cyclopropylmethylamino)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-(ethylaminomethyl)-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;6-[4-[(4-hydroxycyclohexyl)amino]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[5-[5-[(1-methylpyrrolidin-2-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpyrrolidin-3-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 162212461) has the molecular formula C179H275N43O8 and a molecular weight of 3157.46 g/mol. Its IUPAC name is 4-[[5-[5-[(cyclopropylmethylamino)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-(ethylaminomethyl)-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;6-[4-[(4-hydroxycyclohexyl)amino]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[5-[5-[(1-methylpyrrolidin-2-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpyrrolidin-3-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-[5-[(cyclopropylmethylamino)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-(ethylaminomethyl)-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;6-[4-[(4-hydroxycyclohexyl)amino]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[5-[5-[(1-methylpyrrolidin-2-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpyrrolidin-3-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID162212461
Molecular FormulaC179H275N43O8
Molecular Weight3157.46 g/mol
Exact Mass3155.24
IUPAC Name4-[[5-[5-[(cyclopropylmethylamino)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-(ethylaminomethyl)-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;6-[4-[(4-hydroxycyclohexyl)amino]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[5-[5-[(1-methylpyrrolidin-2-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpyrrolidin-3-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCC[C@H](C)Nc1ncc(-c2ccc(C(=O)NC3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1.CCC[C@H](C)Nc1ncc(-c2ccc(CC3CCCN3C)cn2)c(NC2CCC(O)CC2)n1.CCC[C@H](C)Nc1ncc(-c2ccc(CC3CCN(C)C3)cn2)c(NC2CCC(O)CC2)n1.CCC[C@H](C)Nc1ncc(-c2ccc(CNCC)cn2)c(NC2CCC(O)CC2)n1.CCC[C@H](C)Nc1ncc(-c2ccc(CNCC3CC3)cn2)c(NC2CCC(O)CC2)n1.CCC[C@H](C)Nc1ncc(-c2ccc(C[C@@H]3CCCN3C)cn2)c(NC2CCC(O)CC2)n1.CCC[C@H](C)Nc1ncc(-c2ccc(C[C@H]3CCCN3C)cn2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C27H41N7O2.4C26H40N6O.C25H38N6O.C23H36N6O/c1-4-5-18(2)30-27-29-17-23(25(33-27)31-20-7-9-22(35)10-8-20)24-11-6-19(16-28-24)26(36)32-21-12-14-34(3)15-13-21;3*1-4-6-18(2)29-26-28-17-23(25(31-26)30-20-9-11-22(33)12-10-20)24-13-8-19(16-27-24)15-21-7-5-14-32(21)3;1-4-5-18(2)29-26-28-16-23(25(31-26)30-21-7-9-22(33)10-8-21)24-11-6-19(15-27-24)14-20-12-13-32(3)17-20;1-3-4-17(2)29-25-28-16-22(24(31-25)30-20-8-10-21(32)11-9-20)23-12-7-19(15-27-23)14-26-13-18-5-6-18;1-4-6-16(3)27-23-26-15-20(21-12-7-17(14-25-21)13-24-5-2)22(29-23)28-18-8-10-19(30)11-9-18/h6,11,16-18,20-22,35H,4-5,7-10,12-15H2,1-3H3,(H,32,36)(H2,29,30,31,33);3*8,13,16-18,20-22,33H,4-7,9-12,14-15H2,1-3H3,(H2,28,29,30,31);6,11,15-16,18,20-22,33H,4-5,7-10,12-14,17H2,1-3H3,(H2,28,29,30,31);7,12,15-18,20-21,26,32H,3-6,8-11,13-14H2,1-2H3,(H2,28,29,30,31);7,12,14-16,18-19,24,30H,4-6,8-11,13H2,1-3H3,(H2,26,27,28,29)/t18-,20?,22?;18-,20?,21?,22?;18-,20?,21+,22?;18-,20?,21-,22?;18-,20?,21?,22?;17-,20?,21?;16-,18?,19?/m0000000/s1
InChIKeyZTAMRUPXARWCEU-TZNXVQJTSA-N
XLogP29.82
TPSA650.08 Ų
H-Bond Donors24
H-Bond Acceptors50
Rotatable Bonds66
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003157.46
LogP ≤ 529.82
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1050

Analyze 4-[[5-[5-[(cyclopropylmethylamino)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-(ethylaminomethyl)-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;6-[4-[(4-hydroxycyclohexyl)amino]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[5-[5-[(1-methylpyrrolidin-2-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpyrrolidin-3-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

4-[[5-[5-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 162237347
4-[[5-[5-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]-2-(pentan-2-ylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 123339454
tert-butyl 4-[[6-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]-3-pyridinyl]methyl]piperidine-1-carboxylate
CID 118439946
6-[2-[[(2S)-2-fluorobutyl]amino]-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]pyridine-3-carboxylic acid
CID 170437916
4-[[2-(butylamino)-5-[5-[[(3S)-3-propan-2-ylpyrrolidin-1-yl]methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439921
4-[[5-[5-(aminomethyl)-2-pyridinyl]-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 129131936
4-[[[5-[5-[(benzylamino)methyl]-2-pyridinyl]-2-(butylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 123148798
4-[[5-(5-amino-2-pyridinyl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439784
2-N-butyl-5-[5-[(tert-butylamino)methyl]-2-pyridinyl]-4-N-cyclohexylpyrimidine-2,4-diamine
CID 123494543
4-[[2-[[(2S)-2-fluorobutyl]amino]-5-[5-(oxolan-3-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 170445767
4-[[2-(4-iodoanilino)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 144944286
4-[[2-(4-bromoanilino)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439827

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[5-[(cyclopropylmethylamino)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-(ethylaminomethyl)-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;6-[4-[(4-hydroxycyclohexyl)amino]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[5-[5-[(1-methylpyrrolidin-2-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpyrrolidin-3-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[5-[5-[(cyclopropylmethylamino)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-(ethylaminomethyl)-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;6-[4-[(4-hydroxycyclohexyl)amino]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[5-[5-[(1-methylpyrrolidin-2-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpyrrolidin-3-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 162212461) is 4-[[5-[5-[(cyclopropylmethylamino)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-(ethylaminomethyl)-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;6-[4-[(4-hydroxycyclohexyl)amino]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[5-[5-[(1-methylpyrrolidin-2-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpyrrolidin-3-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-[5-[(cyclopropylmethylamino)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-(ethylaminomethyl)-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;6-[4-[(4-hydroxycyclohexyl)amino]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[5-[5-[(1-methylpyrrolidin-2-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpyrrolidin-3-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-[5-[(cyclopropylmethylamino)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-(ethylaminomethyl)-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;6-[4-[(4-hydroxycyclohexyl)amino]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[5-[5-[(1-methylpyrrolidin-2-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpyrrolidin-3-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol is CCC[C@H](C)Nc1ncc(-c2ccc(C(=O)NC3CCN(C)CC3)cn2)c(NC2CCC(O)CC2)n1.CCC[C@H](C)Nc1ncc(-c2ccc(CC3CCCN3C)cn2)c(NC2CCC(O)CC2)n1.CCC[C@H](C)Nc1ncc(-c2ccc(CC3CCN(C)C3)cn2)c(NC2CCC(O)CC2)n1.CCC[C@H](C)Nc1ncc(-c2ccc(CNCC)cn2)c(NC2CCC(O)CC2)n1.CCC[C@H](C)Nc1ncc(-c2ccc(CNCC3CC3)cn2)c(NC2CCC(O)CC2)n1.CCC[C@H](C)Nc1ncc(-c2ccc(C[C@@H]3CCCN3C)cn2)c(NC2CCC(O)CC2)n1.CCC[C@H](C)Nc1ncc(-c2ccc(C[C@H]3CCCN3C)cn2)c(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[5-[5-[(cyclopropylmethylamino)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-(ethylaminomethyl)-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;6-[4-[(4-hydroxycyclohexyl)amino]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[5-[5-[(1-methylpyrrolidin-2-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpyrrolidin-3-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is ZTAMRUPXARWCEU-TZNXVQJTSA-N. The full InChI is InChI=1S/C27H41N7O2.4C26H40N6O.C25H38N6O.C23H36N6O/c1-4-5-18(2)30-27-29-17-23(25(33-27)31-20-7-9-22(35)10-8-20)24-11-6-19(16-28-24)26(36)32-21-12-14-34(3)15-13-21;3*1-4-6-18(2)29-26-28-17-23(25(31-26)30-20-9-11-22(33)12-10-20)24-13-8-19(16-27-24)15-21-7-5-14-32(21)3;1-4-5-18(2)29-26-28-16-23(25(31-26)30-21-7-9-22(33)10-8-21)24-11-6-19(15-27-24)14-20-12-13-32(3)17-20;1-3-4-17(2)29-25-28-16-22(24(31-25)30-20-8-10-21(32)11-9-20)23-12-7-19(15-27-23)14-26-13-18-5-6-18;1-4-6-16(3)27-23-26-15-20(21-12-7-17(14-25-21)13-24-5-2)22(29-23)28-18-8-10-19(30)11-9-18/h6,11,16-18,20-22,35H,4-5,7-10,12-15H2,1-3H3,(H,32,36)(H2,29,30,31,33);3*8,13,16-18,20-22,33H,4-7,9-12,14-15H2,1-3H3,(H2,28,29,30,31);6,11,15-16,18,20-22,33H,4-5,7-10,12-14,17H2,1-3H3,(H2,28,29,30,31);7,12,15-18,20-21,26,32H,3-6,8-11,13-14H2,1-2H3,(H2,28,29,30,31);7,12,14-16,18-19,24,30H,4-6,8-11,13H2,1-3H3,(H2,26,27,28,29)/t18-,20?,22?;18-,20?,21?,22?;18-,20?,21+,22?;18-,20?,21-,22?;18-,20?,21?,22?;17-,20?,21?;16-,18?,19?/m0000000/s1.
What are the key properties of 4-[[5-[5-[(cyclopropylmethylamino)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-(ethylaminomethyl)-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;6-[4-[(4-hydroxycyclohexyl)amino]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[5-[5-[(1-methylpyrrolidin-2-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpyrrolidin-3-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[5-[5-[(cyclopropylmethylamino)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-(ethylaminomethyl)-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;6-[4-[(4-hydroxycyclohexyl)amino]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[5-[5-[(1-methylpyrrolidin-2-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpyrrolidin-3-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 3157.46 g/mol, XLogP of 29.82, 66 rotatable bonds, 24 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[5-[(cyclopropylmethylamino)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-(ethylaminomethyl)-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;6-[4-[(4-hydroxycyclohexyl)amino]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[5-[5-[(1-methylpyrrolidin-2-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpyrrolidin-3-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 162212461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).