N-(3-fluorocyclobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-methylsulfonylcyclobutyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine;3-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]oxetan-3-ol

C92H100FN29O5S — CID 157488255

IUPACN-(3-fluorocyclobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-methylsulfonylcyclobutyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine;3-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]oxetan-3-ol
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CC(F)C4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CC(S(C)(=O)=O)C4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4(O)COC4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCCN4CCOCC4)n3)c2)cn1
InChIInChI=1S/C25H30N8O.C23H25N7O2S.C22H22FN7.C22H23N7O2/c1-31-17-21(14-28-31)19-5-3-6-20(13-19)24-27-16-23(22-15-29-32(2)18-22)25(30-24)26-7-4-8-33-9-11-34-12-10-33;1-29-13-17(10-25-29)15-5-4-6-16(7-15)22-24-12-21(18-11-26-30(2)14-18)23(28-22)27-19-8-20(9-19)33(3,31)32;1-29-12-16(9-25-29)14-4-3-5-15(6-14)21-24-11-20(17-10-26-30(2)13-17)22(28-21)27-19-7-18(23)8-19;1-28-10-17(7-25-28)15-4-3-5-16(6-15)20-23-9-19(18-8-26-29(2)11-18)21(27-20)24-12-22(30)13-31-14-22/h3,5-6,13-18H,4,7-12H2,1-2H3,(H,26,27,30);4-7,10-14,19-20H,8-9H2,1-3H3,(H,24,27,28);3-6,9-13,18-19H,7-8H2,1-2H3,(H,24,27,28);3-11,30H,12-14H2,1-2H3,(H,23,24,27)
InChIKeyBWYURQOLHUJLLM-UHFFFAOYSA-N
MW1743.07 g/mol
LogP11.99
Rot. Bonds25

About N-(3-fluorocyclobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-methylsulfonylcyclobutyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine;3-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]oxetan-3-ol

N-(3-fluorocyclobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-methylsulfonylcyclobutyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine;3-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]oxetan-3-ol (PubChem CID 157488255) has the molecular formula C92H100FN29O5S and a molecular weight of 1743.07 g/mol. Its IUPAC name is N-(3-fluorocyclobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-methylsulfonylcyclobutyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine;3-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]oxetan-3-ol.

Molecular Properties

Compound NameN-(3-fluorocyclobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-methylsulfonylcyclobutyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine;3-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]oxetan-3-ol
PubChem CID157488255
Molecular FormulaC92H100FN29O5S
Molecular Weight1743.07 g/mol
Exact Mass1741.82
IUPAC NameN-(3-fluorocyclobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-methylsulfonylcyclobutyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine;3-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]oxetan-3-ol
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CC(F)C4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CC(S(C)(=O)=O)C4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4(O)COC4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCCN4CCOCC4)n3)c2)cn1
InChIInChI=1S/C25H30N8O.C23H25N7O2S.C22H22FN7.C22H23N7O2/c1-31-17-21(14-28-31)19-5-3-6-20(13-19)24-27-16-23(22-15-29-32(2)18-22)25(30-24)26-7-4-8-33-9-11-34-12-10-33;1-29-13-17(10-25-29)15-5-4-6-16(7-15)22-24-12-21(18-11-26-30(2)14-18)23(28-22)27-19-8-20(9-19)33(3,31)32;1-29-12-16(9-25-29)14-4-3-5-15(6-14)21-24-11-20(17-10-26-30(2)13-17)22(28-21)27-19-7-18(23)8-19;1-28-10-17(7-25-28)15-4-3-5-16(6-15)20-23-9-19(18-8-26-29(2)11-18)21(27-20)24-12-22(30)13-31-14-22/h3,5-6,13-18H,4,7-12H2,1-2H3,(H,26,27,30);4-7,10-14,19-20H,8-9H2,1-3H3,(H,24,27,28);3-6,9-13,18-19H,7-8H2,1-2H3,(H,24,27,28);3-11,30H,12-14H2,1-2H3,(H,23,24,27)
InChIKeyBWYURQOLHUJLLM-UHFFFAOYSA-N
XLogP11.99
TPSA369.87 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds25
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001743.07
LogP ≤ 511.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze N-(3-fluorocyclobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-methylsulfonylcyclobutyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine;3-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]oxetan-3-ol with MolForge

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Related Compounds

N-[4-(cyclopropylsulfonylmethyl)cyclohexyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;1-[4-hydroxy-4-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;1,1,1-trifluoro-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propan-2-ol
CID 157385322
N-[(3,3-difluorocyclobutyl)methyl]-5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;N-(3-fluorocyclobutyl)-5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-methylsulfonylcyclobutyl)pyrimidin-4-amine
CID 157546507
N-(2,2,3,3,4,4,4-heptafluorobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[1-(1-methylsulfonylpiperidin-4-yl)ethyl]pyrimidin-4-amine;(1S,2R,3S)-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 157949605
5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxan-3-ylmethyl)pyrimidin-4-amine;2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-amine;1,1,1-trifluoro-3-[[2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-yl]amino]propan-2-ol
CID 158054802
5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[3-(methylsulfonylmethyl)-1-bicyclo[1.1.1]pentanyl]pyrimidin-4-amine;3-N-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]bicyclo[1.1.1]pentane-1,3-diamine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 158101300
N-(3,3-difluorocyclobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;N-[(3-fluorooxetan-3-yl)methyl]-N-methyl-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;bis(3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclobutan-1-ol)
CID 158452092
(3S)-5,5-difluoro-1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-amine;(3R)-5,5-difluoro-1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-amine;(1S,2S,6S)-2-fluoro-6-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[3-(methylsulfonimidoyl)propyl]pyrimidin-4-amine
CID 158490366
(3R)-5,5-difluoro-1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-amine;(1R,2S,6S)-2-(methylamino)-6-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[3-(methylsulfonimidoyl)propyl]pyrimidin-4-amine
CID 159043681
N-(4,4-difluorocyclohexyl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-methylsulfonylpropyl)pyrimidin-4-amine;bis(N-[[3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclobutyl]methyl]acetamide)
CID 159549826
N-[4-(cyclopropylsulfonylmethyl)cyclohexyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;1-[4-hydroxy-4-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethanesulfonamide;1,1,1-trifluoro-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propan-2-ol
CID 159876955
5-[1-[(3R)-3-(3,3-difluoropiperidin-1-yl)cyclohexyl]pyrazol-4-yl]-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidine;N-[(1R,3R)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]methanesulfonamide;[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]piperidin-3-yl]methanol
CID 161455383
3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;2,2-dimethyl-4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;(3S)-N,N-dimethyl-1-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-amine;(3S,4S)-4-methoxy-1-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide;5-(1-methylpyrazol-4-yl)-3-[6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 161499133

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorocyclobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-methylsulfonylcyclobutyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine;3-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]oxetan-3-ol?
The IUPAC name of N-(3-fluorocyclobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-methylsulfonylcyclobutyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine;3-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]oxetan-3-ol (CID 157488255) is N-(3-fluorocyclobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-methylsulfonylcyclobutyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine;3-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]oxetan-3-ol.
What is the SMILES notation for N-(3-fluorocyclobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-methylsulfonylcyclobutyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine;3-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]oxetan-3-ol?
The canonical SMILES for N-(3-fluorocyclobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-methylsulfonylcyclobutyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine;3-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]oxetan-3-ol is Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CC(F)C4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CC(S(C)(=O)=O)C4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4(O)COC4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCCN4CCOCC4)n3)c2)cn1.
What is the InChIKey of N-(3-fluorocyclobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-methylsulfonylcyclobutyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine;3-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]oxetan-3-ol?
The InChIKey is BWYURQOLHUJLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O.C23H25N7O2S.C22H22FN7.C22H23N7O2/c1-31-17-21(14-28-31)19-5-3-6-20(13-19)24-27-16-23(22-15-29-32(2)18-22)25(30-24)26-7-4-8-33-9-11-34-12-10-33;1-29-13-17(10-25-29)15-5-4-6-16(7-15)22-24-12-21(18-11-26-30(2)14-18)23(28-22)27-19-8-20(9-19)33(3,31)32;1-29-12-16(9-25-29)14-4-3-5-15(6-14)21-24-11-20(17-10-26-30(2)13-17)22(28-21)27-19-7-18(23)8-19;1-28-10-17(7-25-28)15-4-3-5-16(6-15)20-23-9-19(18-8-26-29(2)11-18)21(27-20)24-12-22(30)13-31-14-22/h3,5-6,13-18H,4,7-12H2,1-2H3,(H,26,27,30);4-7,10-14,19-20H,8-9H2,1-3H3,(H,24,27,28);3-6,9-13,18-19H,7-8H2,1-2H3,(H,24,27,28);3-11,30H,12-14H2,1-2H3,(H,23,24,27).
What are the key properties of N-(3-fluorocyclobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-methylsulfonylcyclobutyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine;3-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]oxetan-3-ol?
N-(3-fluorocyclobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-methylsulfonylcyclobutyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine;3-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]oxetan-3-ol has a molecular weight of 1743.07 g/mol, XLogP of 11.99, 25 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorocyclobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-methylsulfonylcyclobutyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine;3-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]oxetan-3-ol is sourced from PubChem (CID 157488255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).