(6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[5-methoxy-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone

C180H230F18N28O15 — CID 158470512

IUPAC(6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[5-methoxy-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone
SMILESCOC1CCCCC1NC1CCN(C(=O)c2ncnc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2C)CC1.COC1CCCCC1NC1CCN(C(=O)c2ncnc(Cc3cccc(C(F)(F)F)c3)c2C)CC1.COC1CCCCC1NC1CCN(C(=O)c2ncnc(Cc3cccc(C)c3)c2C)CC1.COC1CCCCC1NC1CCN(C(=O)c2ncnc(Cc3ccccc3)c2C)CC1.CO[C@@H]1CCCC[C@@H]1NC1CCN(C(=O)c2cc(Cc3cccc(C(F)(F)F)c3)ncn2)CC1.CO[C@H]1CCCC[C@H]1NC1CCN(C(=O)c2cc(Cc3cccc(C(F)(F)F)c3)ncn2)CC1.COc1c(Cc2cccc(C(F)(F)F)c2)ncnc1C(=O)N1CCC(N[C@H]2CCCC[C@H]2OC)CC1
InChIInChI=1S/C27H32F6N4O2.C26H33F3N4O3.C26H33F3N4O2.C26H36N4O2.2C25H31F3N4O2.C25H34N4O2/c1-16-22(13-17-11-18(26(28,29)30)14-19(12-17)27(31,32)33)34-15-35-24(16)25(38)37-9-7-20(8-10-37)36-21-5-3-4-6-23(21)39-2;1-35-22-9-4-3-8-20(22)32-19-10-12-33(13-11-19)25(34)23-24(36-2)21(30-16-31-23)15-17-6-5-7-18(14-17)26(27,28)29;1-17-22(15-18-6-5-7-19(14-18)26(27,28)29)30-16-31-24(17)25(34)33-12-10-20(11-13-33)32-21-8-3-4-9-23(21)35-2;1-18-7-6-8-20(15-18)16-23-19(2)25(28-17-27-23)26(31)30-13-11-21(12-14-30)29-22-9-4-5-10-24(22)32-3;2*1-34-23-8-3-2-7-21(23)31-19-9-11-32(12-10-19)24(33)22-15-20(29-16-30-22)14-17-5-4-6-18(13-17)25(26,27)28;1-18-22(16-19-8-4-3-5-9-19)26-17-27-24(18)25(30)29-14-12-20(13-15-29)28-21-10-6-7-11-23(21)31-2/h11-12,14-15,20-21,23,36H,3-10,13H2,1-2H3;5-7,14,16,19-20,22,32H,3-4,8-13,15H2,1-2H3;5-7,14,16,20-21,23,32H,3-4,8-13,15H2,1-2H3;6-8,15,17,21-22,24,29H,4-5,9-14,16H2,1-3H3;2*4-6,13,15-16,19,21,23,31H,2-3,7-12,14H2,1H3;3-5,8-9,17,20-21,23,28H,6-7,10-16H2,1-2H3/t;20-,22+;;;2*21-,23+;/m.0..10./s1
InChIKeyHGHFEYRKAMSCBG-MCRVZGSGSA-N
MW3367.96 g/mol
LogP30.20
Rot. Bonds43

About (6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[5-methoxy-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone

(6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[5-methoxy-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone (PubChem CID 158470512) has the molecular formula C180H230F18N28O15 and a molecular weight of 3367.96 g/mol. Its IUPAC name is (6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[5-methoxy-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[5-methoxy-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone
PubChem CID158470512
Molecular FormulaC180H230F18N28O15
Molecular Weight3367.96 g/mol
Exact Mass3365.78
IUPAC Name(6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[5-methoxy-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone
SMILESCOC1CCCCC1NC1CCN(C(=O)c2ncnc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2C)CC1.COC1CCCCC1NC1CCN(C(=O)c2ncnc(Cc3cccc(C(F)(F)F)c3)c2C)CC1.COC1CCCCC1NC1CCN(C(=O)c2ncnc(Cc3cccc(C)c3)c2C)CC1.COC1CCCCC1NC1CCN(C(=O)c2ncnc(Cc3ccccc3)c2C)CC1.CO[C@@H]1CCCC[C@@H]1NC1CCN(C(=O)c2cc(Cc3cccc(C(F)(F)F)c3)ncn2)CC1.CO[C@H]1CCCC[C@H]1NC1CCN(C(=O)c2cc(Cc3cccc(C(F)(F)F)c3)ncn2)CC1.COc1c(Cc2cccc(C(F)(F)F)c2)ncnc1C(=O)N1CCC(N[C@H]2CCCC[C@H]2OC)CC1
InChIInChI=1S/C27H32F6N4O2.C26H33F3N4O3.C26H33F3N4O2.C26H36N4O2.2C25H31F3N4O2.C25H34N4O2/c1-16-22(13-17-11-18(26(28,29)30)14-19(12-17)27(31,32)33)34-15-35-24(16)25(38)37-9-7-20(8-10-37)36-21-5-3-4-6-23(21)39-2;1-35-22-9-4-3-8-20(22)32-19-10-12-33(13-11-19)25(34)23-24(36-2)21(30-16-31-23)15-17-6-5-7-18(14-17)26(27,28)29;1-17-22(15-18-6-5-7-19(14-18)26(27,28)29)30-16-31-24(17)25(34)33-12-10-20(11-13-33)32-21-8-3-4-9-23(21)35-2;1-18-7-6-8-20(15-18)16-23-19(2)25(28-17-27-23)26(31)30-13-11-21(12-14-30)29-22-9-4-5-10-24(22)32-3;2*1-34-23-8-3-2-7-21(23)31-19-9-11-32(12-10-19)24(33)22-15-20(29-16-30-22)14-17-5-4-6-18(13-17)25(26,27)28;1-18-22(16-19-8-4-3-5-9-19)26-17-27-24(18)25(30)29-14-12-20(13-15-29)28-21-10-6-7-11-23(21)31-2/h11-12,14-15,20-21,23,36H,3-10,13H2,1-2H3;5-7,14,16,19-20,22,32H,3-4,8-13,15H2,1-2H3;5-7,14,16,20-21,23,32H,3-4,8-13,15H2,1-2H3;6-8,15,17,21-22,24,29H,4-5,9-14,16H2,1-3H3;2*4-6,13,15-16,19,21,23,31H,2-3,7-12,14H2,1H3;3-5,8-9,17,20-21,23,28H,6-7,10-16H2,1-2H3/t;20-,22+;;;2*21-,23+;/m.0..10./s1
InChIKeyHGHFEYRKAMSCBG-MCRVZGSGSA-N
XLogP30.20
TPSA480.68 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds43
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003367.96
LogP ≤ 530.20
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Analyze (6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[5-methoxy-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone 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

(6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone
CID 158470513
[6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[[(1R,2R)-2-methoxycyclohexyl]methyl]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[5-methoxy-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone
CID 161364624
[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]-[5-methyl-6-[2-[(2R,6S)-6-[3-(trifluoromethyl)phenyl]oxan-2-yl]ethyl]pyrimidin-4-yl]methanone
CID 58035334
N-[1-[1-[5-methoxy-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 147700086
[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[4-methyl-5-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridazin-3-yl]methanone
CID 118039440
[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]-[5-methoxy-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-4-yl]methanone
CID 54597146
1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3S,4S)-3-methoxyoxan-4-yl]piperidin-4-amine
CID 157406437
[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone
CID 148577546
[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]-[6-[[(2R,6S)-6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methylamino]pyrimidin-4-yl]methanone
CID 90260567
[4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]-[5-methoxy-6-[[(2R,6S)-6-phenyloxan-2-yl]methylamino]pyrimidin-4-yl]methanone
CID 53247534
[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)methyl]piperidin-1-yl]-[5-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-yl]methanone
CID 158946131
[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methoxy-6-[[(2R,6S)-6-[4-(trifluoromethoxy)phenyl]oxan-2-yl]methylamino]pyrimidin-4-yl]methanone
CID 118049136

Frequently Asked Questions

What is the IUPAC name of (6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[5-methoxy-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone?
The IUPAC name of (6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[5-methoxy-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone (CID 158470512) is (6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[5-methoxy-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone.
What is the SMILES notation for (6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[5-methoxy-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone?
The canonical SMILES for (6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[5-methoxy-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone is COC1CCCCC1NC1CCN(C(=O)c2ncnc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2C)CC1.COC1CCCCC1NC1CCN(C(=O)c2ncnc(Cc3cccc(C(F)(F)F)c3)c2C)CC1.COC1CCCCC1NC1CCN(C(=O)c2ncnc(Cc3cccc(C)c3)c2C)CC1.COC1CCCCC1NC1CCN(C(=O)c2ncnc(Cc3ccccc3)c2C)CC1.CO[C@@H]1CCCC[C@@H]1NC1CCN(C(=O)c2cc(Cc3cccc(C(F)(F)F)c3)ncn2)CC1.CO[C@H]1CCCC[C@H]1NC1CCN(C(=O)c2cc(Cc3cccc(C(F)(F)F)c3)ncn2)CC1.COc1c(Cc2cccc(C(F)(F)F)c2)ncnc1C(=O)N1CCC(N[C@H]2CCCC[C@H]2OC)CC1.
What is the InChIKey of (6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[5-methoxy-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone?
The InChIKey is HGHFEYRKAMSCBG-MCRVZGSGSA-N. The full InChI is InChI=1S/C27H32F6N4O2.C26H33F3N4O3.C26H33F3N4O2.C26H36N4O2.2C25H31F3N4O2.C25H34N4O2/c1-16-22(13-17-11-18(26(28,29)30)14-19(12-17)27(31,32)33)34-15-35-24(16)25(38)37-9-7-20(8-10-37)36-21-5-3-4-6-23(21)39-2;1-35-22-9-4-3-8-20(22)32-19-10-12-33(13-11-19)25(34)23-24(36-2)21(30-16-31-23)15-17-6-5-7-18(14-17)26(27,28)29;1-17-22(15-18-6-5-7-19(14-18)26(27,28)29)30-16-31-24(17)25(34)33-12-10-20(11-13-33)32-21-8-3-4-9-23(21)35-2;1-18-7-6-8-20(15-18)16-23-19(2)25(28-17-27-23)26(31)30-13-11-21(12-14-30)29-22-9-4-5-10-24(22)32-3;2*1-34-23-8-3-2-7-21(23)31-19-9-11-32(12-10-19)24(33)22-15-20(29-16-30-22)14-17-5-4-6-18(13-17)25(26,27)28;1-18-22(16-19-8-4-3-5-9-19)26-17-27-24(18)25(30)29-14-12-20(13-15-29)28-21-10-6-7-11-23(21)31-2/h11-12,14-15,20-21,23,36H,3-10,13H2,1-2H3;5-7,14,16,19-20,22,32H,3-4,8-13,15H2,1-2H3;5-7,14,16,20-21,23,32H,3-4,8-13,15H2,1-2H3;6-8,15,17,21-22,24,29H,4-5,9-14,16H2,1-3H3;2*4-6,13,15-16,19,21,23,31H,2-3,7-12,14H2,1H3;3-5,8-9,17,20-21,23,28H,6-7,10-16H2,1-2H3/t;20-,22+;;;2*21-,23+;/m.0..10./s1.
What are the key properties of (6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[5-methoxy-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone?
(6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[5-methoxy-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone has a molecular weight of 3367.96 g/mol, XLogP of 30.20, 43 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[5-methoxy-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone is sourced from PubChem (CID 158470512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).