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

C81H94F4N22O5 — CID 159429900

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-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile
SMILESCc1ccc(CNc2ncc(C#N)c(NC3CCC(O)CC3)n2)c(F)c1.Cc1ccccc1CNc1ncc(C#N)c(NC2CCC(O)CC2)n1.Cc1cnnn1-c1ccccc1CNc1ncc(C#N)c(C[C@@H]2CC[C@@H](O)C(C)(C)C2)n1.N#Cc1cnc(NCc2ccccc2OC(F)(F)F)nc1NC1CCC(O)CC1
InChIInChI=1S/C24H29N7O.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)/t17-,22+;;;/m0.../s1
InChIKeyLQVSZOKHODXCMJ-RTGLYBLTSA-N
MW1531.78 g/mol
LogP13.26
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-(5-methyltriazol-1-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-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile (PubChem CID 159429900) has the molecular formula C81H94F4N22O5 and a molecular weight of 1531.78 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-(5-methyltriazol-1-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-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile
PubChem CID159429900
Molecular FormulaC81H94F4N22O5
Molecular Weight1531.78 g/mol
Exact Mass1530.77
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-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile
SMILESCc1ccc(CNc2ncc(C#N)c(NC3CCC(O)CC3)n2)c(F)c1.Cc1ccccc1CNc1ncc(C#N)c(NC2CCC(O)CC2)n1.Cc1cnnn1-c1ccccc1CNc1ncc(C#N)c(C[C@@H]2CC[C@@H](O)C(C)(C)C2)n1.N#Cc1cnc(NCc2ccccc2OC(F)(F)F)nc1NC1CCC(O)CC1
InChIInChI=1S/C24H29N7O.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)/t17-,22+;;;/m0.../s1
InChIKeyLQVSZOKHODXCMJ-RTGLYBLTSA-N
XLogP13.26
TPSA403.35 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001531.78
LogP ≤ 513.26
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

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-(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
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
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
CID 159875916
2-[2-[4-(1,1-Difluoroethyl)-3-pyridinyl]ethyl]-4-[3-(hydroxymethyl)-2-methylanilino]pyrimidine-5-carbonitrile;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-[(2-hydroxy-2-methylpropyl)amino]-2-[[2-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile
CID 160369533
2-[2-[2-(2,2-difluoropropoxy)phenyl]ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]methyl]pyrimidine-5-carbonitrile;2-[2-[4-(2-fluoro-2-methylpropoxy)phenyl]ethylamino]-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]methyl]pyrimidine-5-carbonitrile;2-(2-phenylethylamino)-4-[[(1S,3S)-2,2,3-trimethylcyclobutyl]methyl]pyrimidine-5-carbonitrile;2-(2-phenylethylamino)-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]methyl]pyrimidine-5-carbonitrile
CID 160838486
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-(2-fluoro-6-methoxyphenyl)-6-[[4-[(3S)-3-hydroxypiperidin-1-yl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]pyridine-3-carbonitrile
CID 172626774
2-(2-fluoro-6-methoxyphenyl)-6-[[4-[(3S)-3-hydroxypiperidin-1-yl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile
CID 172626833
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

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-(5-methyltriazol-1-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-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile (CID 159429900) 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-(5-methyltriazol-1-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-(5-methyltriazol-1-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-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile is Cc1ccc(CNc2ncc(C#N)c(NC3CCC(O)CC3)n2)c(F)c1.Cc1ccccc1CNc1ncc(C#N)c(NC2CCC(O)CC2)n1.Cc1cnnn1-c1ccccc1CNc1ncc(C#N)c(C[C@@H]2CC[C@@H](O)C(C)(C)C2)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-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile?
The InChIKey is LQVSZOKHODXCMJ-RTGLYBLTSA-N. The full InChI is InChI=1S/C24H29N7O.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)/t17-,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-(5-methyltriazol-1-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-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile has a molecular weight of 1531.78 g/mol, XLogP of 13.26, 22 rotatable bonds, 11 hydrogen bond donors, and 27 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-(5-methyltriazol-1-yl)phenyl]methylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 159429900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).