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

C81H95F4N22O5+ — CID 157050988

IUPAC2-[(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
SMILESCC1C=NN=[N+]1c1ccccc1CNc1ncc(C#N)c(C[C@@H]2CC[C@@H](O)C(C)(C)C2)n1.Cc1ccc(CNc2ncc(C#N)c(NC3CCC(O)CC3)n2)c(F)c1.Cc1ccccc1CNc1ncc(C#N)c(NC2CCC(O)CC2)n1.N#Cc1cnc(NCc2ccccc2OC(F)(F)F)nc1NC1CCC(O)CC1
InChIInChI=1S/C24H30N7O.C19H20F3N5O2.C19H22FN5O.C19H23N5O/c1-16-13-28-30-31(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;20-19(21,22)29-16-4-2-1-3-12(16)10-24-18-25-11-13(9-23)17(27-18)26-14-5-7-15(28)8-6-14;1-12-2-3-13(17(20)8-12)10-22-19-23-11-14(9-21)18(25-19)24-15-4-6-16(26)7-5-15;1-13-4-2-3-5-14(13)11-21-19-22-12-15(10-20)18(24-19)23-16-6-8-17(25)9-7-16/h4-7,13,15-17,22,32H,8-11,14H2,1-3H3,(H,26,27,29);1-4,11,14-15,28H,5-8,10H2,(H2,24,25,26,27);2-3,8,11,15-16,26H,4-7,10H2,1H3,(H2,22,23,24,25);2-5,12,16-17,25H,6-9,11H2,1H3,(H2,21,22,23,24)/q+1;;;/t16?,17-,22+;;;/m0.../s1
InChIKeySOTASSOPWHUCIM-FELDDQGYSA-N
MW1532.79 g/mol
LogP13.86
Rot. Bonds22

About 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

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 (PubChem CID 157050988) has the molecular formula C81H95F4N22O5+ and a molecular weight of 1532.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID157050988
Molecular FormulaC81H95F4N22O5+
Molecular Weight1532.79 g/mol
Exact Mass1531.78
IUPAC Name2-[(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
SMILESCC1C=NN=[N+]1c1ccccc1CNc1ncc(C#N)c(C[C@@H]2CC[C@@H](O)C(C)(C)C2)n1.Cc1ccc(CNc2ncc(C#N)c(NC3CCC(O)CC3)n2)c(F)c1.Cc1ccccc1CNc1ncc(C#N)c(NC2CCC(O)CC2)n1.N#Cc1cnc(NCc2ccccc2OC(F)(F)F)nc1NC1CCC(O)CC1
InChIInChI=1S/C24H30N7O.C19H20F3N5O2.C19H22FN5O.C19H23N5O/c1-16-13-28-30-31(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;20-19(21,22)29-16-4-2-1-3-12(16)10-24-18-25-11-13(9-23)17(27-18)26-14-5-7-15(28)8-6-14;1-12-2-3-13(17(20)8-12)10-22-19-23-11-14(9-21)18(25-19)24-15-4-6-16(26)7-5-15;1-13-4-2-3-5-14(13)11-21-19-22-12-15(10-20)18(24-19)23-16-6-8-17(25)9-7-16/h4-7,13,15-17,22,32H,8-11,14H2,1-3H3,(H,26,27,29);1-4,11,14-15,28H,5-8,10H2,(H2,24,25,26,27);2-3,8,11,15-16,26H,4-7,10H2,1H3,(H2,22,23,24,25);2-5,12,16-17,25H,6-9,11H2,1H3,(H2,21,22,23,24)/q+1;;;/t16?,17-,22+;;;/m0.../s1
InChIKeySOTASSOPWHUCIM-FELDDQGYSA-N
XLogP13.86
TPSA400.37 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001532.79
LogP ≤ 513.86
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

4-[(4-Hydroxycyclohexyl)amino]-2-[[2-[4-[[1-methoxy-2,2-dimethyl-3-[[2-[[1-oxido-4-(trifluoromethyl)pyridin-1-ium-3-yl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclobutyl]methyl]phenoxy]phenyl]methylamino]pyrimidine-5-carbonitrile
CID 131992263
cis-(1S,3R)-3-[[2-[(2-methoxy-3-pyridinyl)methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol;(1R,2R,5S)-5-[[2-[2-[4-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylcyclohexan-1-ol;4-[[(1R,3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[[2-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidine-5-carbonitrile;4-[[(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]amino]-2-[[2-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile
CID 157096664
cis-(1S,4R)-2,2-dimethyl-4-[[2-[[6-methyl-4-(trifluoromethyl)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol;cis-(1S,3R)-3-[[2-[(2-ethoxy-3-pyridinyl)methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol;2-[(2-ethoxy-3-pyridinyl)methylamino]-4-[[(1R,3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]pyrimidine-5-carbonitrile;4-[(4-hydroxy-4-methylcyclohexyl)amino]-2-[(2-propan-2-yl-3-pyridinyl)methylamino]pyrimidine-5-carbonitrile;methane
CID 157230705
4-[(3-hydroxy-1-adamantyl)methyl]-2-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidine-5-carbonitrile;methane;bis(2,2,4,4-tetramethyl-3-[[5-(trifluoromethyl)-2-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidin-4-yl]amino]cyclobutan-1-ol);trans-(1R,3R)-2,2-dimethyl-3-[[5-(trifluoromethyl)-2-[[2-(3,3,3-trifluoropropoxy)-3-pyridinyl]methylamino]pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 157278549
cis-(1S,4R)-2,2-dimethyl-4-[[5-(trifluoromethyl)-2-[[2-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidin-4-yl]amino]cyclohexan-1-ol;[(1S,3R)-2,2-dimethyl-3-[[5-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]amino]cyclobutyl]methanol;1-methyl-4-[[2-[[2-(4-methylphenoxy)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol;trans-(1R,3R)-3-[[2-[2-[4-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol
CID 157415405
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
4-[(4-hydroxycyclohexyl)amino]-2-[(2-phenoxyphenyl)methylamino]pyrimidine-5-carbonitrile;4-[[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidine-5-carbonitrile;methane;4-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-(trifluoromethyl)-2-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine;4-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-5-(trifluoromethyl)-2-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine
CID 157507444
cis-(1S,4R)-4-[[2-[2-[4-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclohexan-1-ol;cis-(1S,3R)-2,2-dimethyl-3-[[2-[(2-propan-2-yl-3-pyridinyl)methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclobutan-1-ol;1-[4-[[2-[2-[4-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]propan-1-one;2-[[2-(2-fluoroethoxy)-3-pyridinyl]methylamino]-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;4-[[2-[[2-(4-methylphenoxy)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 157555352
2-[2-[2-(1,1-difluoroethoxy)phenyl]ethylamino]-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;2-[2-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]ethylamino]-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;2-[(2-hydroxy-2-phenylpropyl)amino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;2-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile
CID 157606973
2-[2-(4-cyclopentyloxyphenyl)ethylamino]-4-[[(1R,3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]pyrimidine-5-carbonitrile;2-[2-[2-(1,1-difluoroethoxy)phenyl]ethylamino]-4-[[(1R,3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]pyrimidine-5-carbonitrile;4-[[(1R,3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[2-[4-(hydroxymethyl)phenyl]ethylamino]pyrimidine-5-carbonitrile;4-[[(1R,3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[2-[4-(trifluoromethoxy)phenyl]ethylamino]pyrimidine-5-carbonitrile;molecular hydrogen
CID 158326816
4-[(4-Hydroxycyclohexyl)amino]-2-[(2-propan-2-yloxyphenyl)methylamino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[[2-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile;4-[3-(hydroxymethyl)-2-methylanilino]-2-[2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]pyrimidine-5-carbonitrile;4-[(2-hydroxy-2-methylpropyl)amino]-2-[[2-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile
CID 158923033
6-fluoro-N-[2-(2-fluoro-4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-N-[2-(3-fluoro-4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine;6-fluoro-N-[2-(2-methoxyphenyl)ethyl]quinazolin-4-amine;6-fluoro-N-[2-(3-methylphenyl)ethyl]quinazolin-4-amine;bis(6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine);6-fluoro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine
CID 159280770

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1C=NN=[N+]1c1ccccc1CNc1ncc(C#N)c(C[C@@H]2CC[C@@H](O)C(C)(C)C2)n1.Cc1ccc(CNc2ncc(C#N)c(NC3CCC(O)CC3)n2)c(F)c1.Cc1ccccc1CNc1ncc(C#N)c(NC2CCC(O)CC2)n1.N#Cc1cnc(NCc2ccccc2OC(F)(F)F)nc1NC1CCC(O)CC1.
What is the InChIKey of 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?
The InChIKey is SOTASSOPWHUCIM-FELDDQGYSA-N. The full InChI is InChI=1S/C24H30N7O.C19H20F3N5O2.C19H22FN5O.C19H23N5O/c1-16-13-28-30-31(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;20-19(21,22)29-16-4-2-1-3-12(16)10-24-18-25-11-13(9-23)17(27-18)26-14-5-7-15(28)8-6-14;1-12-2-3-13(17(20)8-12)10-22-19-23-11-14(9-21)18(25-19)24-15-4-6-16(26)7-5-15;1-13-4-2-3-5-14(13)11-21-19-22-12-15(10-20)18(24-19)23-16-6-8-17(25)9-7-16/h4-7,13,15-17,22,32H,8-11,14H2,1-3H3,(H,26,27,29);1-4,11,14-15,28H,5-8,10H2,(H2,24,25,26,27);2-3,8,11,15-16,26H,4-7,10H2,1H3,(H2,22,23,24,25);2-5,12,16-17,25H,6-9,11H2,1H3,(H2,21,22,23,24)/q+1;;;/t16?,17-,22+;;;/m0.../s1.
What are the key properties of 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?
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 has a molecular weight of 1532.79 g/mol, XLogP of 13.86, 22 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157050988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).