cis-(1S,4R)-2,2-dimethyl-4-[[2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclohexan-1-ol;2-[[2-(difluoromethoxy)phenyl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[[5-methyl-2-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile

C87H101F8N23O5 — CID 159875916

IUPACcis-(1S,4R)-2,2-dimethyl-4-[[2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclohexan-1-ol;2-[[2-(difluoromethoxy)phenyl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[[5-methyl-2-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile
SMILESCc1ccc(C(F)(F)F)c(CNc2ncc(C#N)c(NC3CCC(O)CC3)n2)c1.Cc1cnnn1-c1ccccc1CNc1ncc(C#N)c(C[C@@H]2CC[C@H](O)C(C)(C)C2)n1.Cc1cnnn1-c1ccccc1CNc1ncc(C(F)(F)F)c(C[C@@H]2CC[C@H](O)C(C)(C)C2)n1.N#Cc1cnc(NCc2ccccc2OC(F)F)nc1NC1CCC(O)CC1
InChIInChI=1S/C24H29F3N6O.C24H29N7O.C20H22F3N5O.C19H21F2N5O2/c1-15-12-30-32-33(15)20-7-5-4-6-17(20)13-28-22-29-14-18(24(25,26)27)19(31-22)10-16-8-9-21(34)23(2,3)11-16;1-16-13-28-30-31(16)21-7-5-4-6-18(21)14-26-23-27-15-19(12-25)20(29-23)10-17-8-9-22(32)24(2,3)11-17;1-12-2-7-17(20(21,22)23)13(8-12)10-25-19-26-11-14(9-24)18(28-19)27-15-3-5-16(29)6-4-15;20-18(21)28-16-4-2-1-3-12(16)10-23-19-24-11-13(9-22)17(26-19)25-14-5-7-15(27)8-6-14/h4-7,12,14,16,21,34H,8-11,13H2,1-3H3,(H,28,29,31);4-7,13,15,17,22,32H,8-11,14H2,1-3H3,(H,26,27,29);2,7-8,11,15-16,29H,3-6,10H2,1H3,(H2,25,26,27,28);1-4,11,14-15,18,27H,5-8,10H2,(H2,23,24,25,26)/t16-,21-;17-,22-;;/m00../s1
InChIKeyNSXCUFUMCVGQQG-JFPNCRAYSA-N
MW1700.90 g/mol
LogP15.59
Rot. Bonds24

About cis-(1S,4R)-2,2-dimethyl-4-[[2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclohexan-1-ol;2-[[2-(difluoromethoxy)phenyl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[[5-methyl-2-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile

cis-(1S,4R)-2,2-dimethyl-4-[[2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclohexan-1-ol;2-[[2-(difluoromethoxy)phenyl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[[5-methyl-2-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile (PubChem CID 159875916) has the molecular formula C87H101F8N23O5 and a molecular weight of 1700.90 g/mol. Its IUPAC name is cis-(1S,4R)-2,2-dimethyl-4-[[2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclohexan-1-ol;2-[[2-(difluoromethoxy)phenyl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[[5-methyl-2-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Namecis-(1S,4R)-2,2-dimethyl-4-[[2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclohexan-1-ol;2-[[2-(difluoromethoxy)phenyl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[[5-methyl-2-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile
PubChem CID159875916
Molecular FormulaC87H101F8N23O5
Molecular Weight1700.90 g/mol
Exact Mass1699.82
IUPAC Namecis-(1S,4R)-2,2-dimethyl-4-[[2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclohexan-1-ol;2-[[2-(difluoromethoxy)phenyl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[[5-methyl-2-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile
SMILESCc1ccc(C(F)(F)F)c(CNc2ncc(C#N)c(NC3CCC(O)CC3)n2)c1.Cc1cnnn1-c1ccccc1CNc1ncc(C#N)c(C[C@@H]2CC[C@H](O)C(C)(C)C2)n1.Cc1cnnn1-c1ccccc1CNc1ncc(C(F)(F)F)c(C[C@@H]2CC[C@H](O)C(C)(C)C2)n1.N#Cc1cnc(NCc2ccccc2OC(F)F)nc1NC1CCC(O)CC1
InChIInChI=1S/C24H29F3N6O.C24H29N7O.C20H22F3N5O.C19H21F2N5O2/c1-15-12-30-32-33(15)20-7-5-4-6-17(20)13-28-22-29-14-18(24(25,26)27)19(31-22)10-16-8-9-21(34)23(2,3)11-16;1-16-13-28-30-31(16)21-7-5-4-6-18(21)14-26-23-27-15-19(12-25)20(29-23)10-17-8-9-22(32)24(2,3)11-17;1-12-2-7-17(20(21,22)23)13(8-12)10-25-19-26-11-14(9-24)18(28-19)27-15-3-5-16(29)6-4-15;20-18(21)28-16-4-2-1-3-12(16)10-23-19-24-11-13(9-22)17(26-19)25-14-5-7-15(27)8-6-14/h4-7,12,14,16,21,34H,8-11,13H2,1-3H3,(H,28,29,31);4-7,13,15,17,22,32H,8-11,14H2,1-3H3,(H,26,27,29);2,7-8,11,15-16,29H,3-6,10H2,1H3,(H2,25,26,27,28);1-4,11,14-15,18,27H,5-8,10H2,(H2,23,24,25,26)/t16-,21-;17-,22-;;/m00../s1
InChIKeyNSXCUFUMCVGQQG-JFPNCRAYSA-N
XLogP15.59
TPSA398.24 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001700.90
LogP ≤ 515.59
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Analyze cis-(1S,4R)-2,2-dimethyl-4-[[2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclohexan-1-ol;2-[[2-(difluoromethoxy)phenyl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[[5-methyl-2-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile with MolForge

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Related Compounds

2-[(2-fluoro-4-methylphenyl)methylamino]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidine-5-carbonitrile;4-[[(1R,4R)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[[2-(4-methyl-4H-triazol-3-ium-3-yl)phenyl]methylamino]pyrimidine-5-carbonitrile
CID 157050988
cis-(1R,4S)-2,2-dimethyl-4-[[2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclohexan-1-ol;2-[(2-ethoxy-6-fluorophenyl)methylamino]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;2-[(2-fluoro-6-methoxyphenyl)methylamino]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[(2-pyrazol-1-ylphenyl)methylamino]pyrimidine-5-carbonitrile
CID 157446822
2-[(2-fluoro-4-methylphenyl)methylamino]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidine-5-carbonitrile;4-[[(1R,4R)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile
CID 159429900
2-(benzylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile;4-[[(1S,4R)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile;trans-(1S,4S)-2,2-dimethyl-4-[[2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclohexan-1-ol
CID 159867873
cis-(1S,4R)-2,2-dimethyl-4-[[2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclohexan-1-ol;2-[[2-(difluoromethoxy)phenyl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[[5-methyl-2-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile;methane
CID 161987210
2-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-4-[(E)-2-[5-methoxy-4-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)phenyl]ethenyl]pyridine-3-carbonitrile
CID 166891630
4-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-[(E)-2-[5-methoxy-4-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)phenyl]ethenyl]pyridine-3-carbonitrile
CID 166891898
2-[2-[4-(2-fluoropropoxy)phenyl]ethylamino]-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[2-[2-(5-methyltetrazol-1-yl)phenyl]ethylamino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[2-[3-(5-methyltetrazol-1-yl)phenyl]ethylamino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[2-[4-(5-methyltetrazol-1-yl)phenyl]ethylamino]pyrimidine-5-carbonitrile
CID 158965645
2-[2-[4-(2-fluoropropoxy)phenyl]ethylamino]-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[2-[3-(5-methyltriazol-1-yl)phenyl]ethylamino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[2-(4-propoxyphenyl)ethylamino]pyrimidine-5-carbonitrile;2-[2-[2-(5-methyltetrazol-1-yl)phenyl]ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]methyl]pyrimidine-5-carbonitrile
CID 159595743
2-[2-[3-[1-(dimethylamino)ethenyl]phenyl]ethylamino]-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;2-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;2-[2-[4-(2-methoxyethoxy)phenyl]ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile
CID 159880115
2-[2-(4-ethynylpyrazol-1-yl)ethylamino]-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(3-methyl-2-pyridinyl)ethylamino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(2H-pyrrol-3-yl)ethylamino]pyrimidine-5-carbonitrile;2-[2-(6-methoxy-2-pyridinyl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;molecular hydrogen
CID 162226139

Frequently Asked Questions

What is the IUPAC name of cis-(1S,4R)-2,2-dimethyl-4-[[2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclohexan-1-ol;2-[[2-(difluoromethoxy)phenyl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[[5-methyl-2-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile?
The IUPAC name of cis-(1S,4R)-2,2-dimethyl-4-[[2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclohexan-1-ol;2-[[2-(difluoromethoxy)phenyl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[[5-methyl-2-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile (CID 159875916) is cis-(1S,4R)-2,2-dimethyl-4-[[2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclohexan-1-ol;2-[[2-(difluoromethoxy)phenyl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[[5-methyl-2-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for cis-(1S,4R)-2,2-dimethyl-4-[[2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclohexan-1-ol;2-[[2-(difluoromethoxy)phenyl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[[5-methyl-2-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for cis-(1S,4R)-2,2-dimethyl-4-[[2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclohexan-1-ol;2-[[2-(difluoromethoxy)phenyl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[[5-methyl-2-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile is Cc1ccc(C(F)(F)F)c(CNc2ncc(C#N)c(NC3CCC(O)CC3)n2)c1.Cc1cnnn1-c1ccccc1CNc1ncc(C#N)c(C[C@@H]2CC[C@H](O)C(C)(C)C2)n1.Cc1cnnn1-c1ccccc1CNc1ncc(C(F)(F)F)c(C[C@@H]2CC[C@H](O)C(C)(C)C2)n1.N#Cc1cnc(NCc2ccccc2OC(F)F)nc1NC1CCC(O)CC1.
What is the InChIKey of cis-(1S,4R)-2,2-dimethyl-4-[[2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclohexan-1-ol;2-[[2-(difluoromethoxy)phenyl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[[5-methyl-2-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile?
The InChIKey is NSXCUFUMCVGQQG-JFPNCRAYSA-N. The full InChI is InChI=1S/C24H29F3N6O.C24H29N7O.C20H22F3N5O.C19H21F2N5O2/c1-15-12-30-32-33(15)20-7-5-4-6-17(20)13-28-22-29-14-18(24(25,26)27)19(31-22)10-16-8-9-21(34)23(2,3)11-16;1-16-13-28-30-31(16)21-7-5-4-6-18(21)14-26-23-27-15-19(12-25)20(29-23)10-17-8-9-22(32)24(2,3)11-17;1-12-2-7-17(20(21,22)23)13(8-12)10-25-19-26-11-14(9-24)18(28-19)27-15-3-5-16(29)6-4-15;20-18(21)28-16-4-2-1-3-12(16)10-23-19-24-11-13(9-22)17(26-19)25-14-5-7-15(27)8-6-14/h4-7,12,14,16,21,34H,8-11,13H2,1-3H3,(H,28,29,31);4-7,13,15,17,22,32H,8-11,14H2,1-3H3,(H,26,27,29);2,7-8,11,15-16,29H,3-6,10H2,1H3,(H2,25,26,27,28);1-4,11,14-15,18,27H,5-8,10H2,(H2,23,24,25,26)/t16-,21-;17-,22-;;/m00../s1.
What are the key properties of cis-(1S,4R)-2,2-dimethyl-4-[[2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclohexan-1-ol;2-[[2-(difluoromethoxy)phenyl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[[5-methyl-2-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile?
cis-(1S,4R)-2,2-dimethyl-4-[[2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclohexan-1-ol;2-[[2-(difluoromethoxy)phenyl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[[5-methyl-2-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile has a molecular weight of 1700.90 g/mol, XLogP of 15.59, 24 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,4R)-2,2-dimethyl-4-[[2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclohexan-1-ol;2-[[2-(difluoromethoxy)phenyl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[[5-methyl-2-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 159875916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).