4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[5-cyclopropyl-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethenylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine

C152H211ClF5N45O3 — CID 160962667

IUPAC4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[5-cyclopropyl-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethenylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine
SMILESC=Cc1cnc(CC2CCC(N)CC2)nc1-c1nnn(C)c1CC1CC1.CCc1cnc(CC2CCC(N)CC2)nc1-c1nnn(C)c1CC1CC1.Cn1nnc(-c2ccnc(CC3CCC(O)CC3)n2)c1CC1CC1.Cn1nnc(-c2nc(CC3CCC(N)CC3)ncc2C(F)(F)F)c1CC1CC1.Cn1nnc(-c2nc(CC3CCC(N)CC3)ncc2C2CC2)c1CC1CC1.Cn1nnc(-c2nc(CC3CCC(N)CC3)ncc2F)c1CC1CC1.Cn1nnc(-c2nc(CC3CCC(O)CC3)ncc2Cl)c1CC1CC1.Cn1nnc(-c2nc(CC3CCC(O)CC3)ncc2F)c1CC1CC1
InChIInChI=1S/C21H30N6.C20H30N6.C20H28N6.C19H25F3N6.C18H24ClN5O.C18H25FN6.C18H24FN5O.C18H25N5O/c1-27-18(10-13-2-3-13)21(25-26-27)20-17(15-6-7-15)12-23-19(24-20)11-14-4-8-16(22)9-5-14;2*1-3-15-12-22-18(11-14-6-8-16(21)9-7-14)23-19(15)20-17(10-13-4-5-13)26(2)25-24-20;1-28-15(8-11-2-3-11)18(26-27-28)17-14(19(20,21)22)10-24-16(25-17)9-12-4-6-13(23)7-5-12;1-24-15(8-11-2-3-11)18(22-23-24)17-14(19)10-20-16(21-17)9-12-4-6-13(25)7-5-12;1-25-15(8-11-2-3-11)18(23-24-25)17-14(19)10-21-16(22-17)9-12-4-6-13(20)7-5-12;1-24-15(8-11-2-3-11)18(22-23-24)17-14(19)10-20-16(21-17)9-12-4-6-13(25)7-5-12;1-23-16(10-12-2-3-12)18(21-22-23)15-8-9-19-17(20-15)11-13-4-6-14(24)7-5-13/h12-16H,2-11,22H2,1H3;12-14,16H,3-11,21H2,1-2H3;3,12-14,16H,1,4-11,21H2,2H3;10-13H,2-9,23H2,1H3;10-13,25H,2-9H2,1H3;10-13H,2-9,20H2,1H3;10-13,25H,2-9H2,1H3;8-9,12-14,24H,2-7,10-11H2,1H3
InChIKeySXEZLGVRORSUTE-UHFFFAOYSA-N
MW2847.11 g/mol
LogP22.41
Rot. Bonds43

About 4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[5-cyclopropyl-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethenylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine

4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[5-cyclopropyl-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethenylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine (PubChem CID 160962667) has the molecular formula C152H211ClF5N45O3 and a molecular weight of 2847.11 g/mol. Its IUPAC name is 4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[5-cyclopropyl-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethenylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[5-cyclopropyl-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethenylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine
PubChem CID160962667
Molecular FormulaC152H211ClF5N45O3
Molecular Weight2847.11 g/mol
Exact Mass2844.74
IUPAC Name4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[5-cyclopropyl-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethenylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine
SMILESC=Cc1cnc(CC2CCC(N)CC2)nc1-c1nnn(C)c1CC1CC1.CCc1cnc(CC2CCC(N)CC2)nc1-c1nnn(C)c1CC1CC1.Cn1nnc(-c2ccnc(CC3CCC(O)CC3)n2)c1CC1CC1.Cn1nnc(-c2nc(CC3CCC(N)CC3)ncc2C(F)(F)F)c1CC1CC1.Cn1nnc(-c2nc(CC3CCC(N)CC3)ncc2C2CC2)c1CC1CC1.Cn1nnc(-c2nc(CC3CCC(N)CC3)ncc2F)c1CC1CC1.Cn1nnc(-c2nc(CC3CCC(O)CC3)ncc2Cl)c1CC1CC1.Cn1nnc(-c2nc(CC3CCC(O)CC3)ncc2F)c1CC1CC1
InChIInChI=1S/C21H30N6.C20H30N6.C20H28N6.C19H25F3N6.C18H24ClN5O.C18H25FN6.C18H24FN5O.C18H25N5O/c1-27-18(10-13-2-3-13)21(25-26-27)20-17(15-6-7-15)12-23-19(24-20)11-14-4-8-16(22)9-5-14;2*1-3-15-12-22-18(11-14-6-8-16(21)9-7-14)23-19(15)20-17(10-13-4-5-13)26(2)25-24-20;1-28-15(8-11-2-3-11)18(26-27-28)17-14(19(20,21)22)10-24-16(25-17)9-12-4-6-13(23)7-5-12;1-24-15(8-11-2-3-11)18(22-23-24)17-14(19)10-20-16(21-17)9-12-4-6-13(25)7-5-12;1-25-15(8-11-2-3-11)18(23-24-25)17-14(19)10-21-16(22-17)9-12-4-6-13(20)7-5-12;1-24-15(8-11-2-3-11)18(22-23-24)17-14(19)10-20-16(21-17)9-12-4-6-13(25)7-5-12;1-23-16(10-12-2-3-12)18(21-22-23)15-8-9-19-17(20-15)11-13-4-6-14(24)7-5-13/h12-16H,2-11,22H2,1H3;12-14,16H,3-11,21H2,1-2H3;3,12-14,16H,1,4-11,21H2,2H3;10-13H,2-9,23H2,1H3;10-13,25H,2-9H2,1H3;10-13H,2-9,20H2,1H3;10-13,25H,2-9H2,1H3;8-9,12-14,24H,2-7,10-11H2,1H3
InChIKeySXEZLGVRORSUTE-UHFFFAOYSA-N
XLogP22.41
TPSA642.71 Ų
H-Bond Donors8
H-Bond Acceptors48
Rotatable Bonds43
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002847.11
LogP ≤ 522.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1048

Analyze 4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[5-cyclopropyl-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethenylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[5-chloro-4-[5-(cyclopropylmethyl)-2H-triazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[5-cyclopropyl-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[4-(cyclopropylmethyl)-3-methyl-3H-pyrazol-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethenylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine
CID 159335513
[4-[2-[(4-Aminocyclohexyl)methyl]pyrimidin-4-yl]-1-methylpyrazol-5-yl]-cyclopropylmethanol;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-1-methylcyclohexan-1-amine;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-1-methylcyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(2,2-dimethylpropyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[1-methyl-5-[(1-methylcyclopropyl)methyl]pyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine
CID 159468987
Butan-1-ol;2-chloro-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-(trifluoromethyl)pyrimidine;cyclohexane-1,4-diamine;5-(cyclopropylmethyl)-1,4-dimethyltriazole;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine;deca-1,3,5,7,9-pentayne;2,4-dichloro-5-(trifluoromethyl)pyrimidine;palladium;tetrakis(triphenylphosphane)
CID 161788857
[4-[2-[(4-Aminocyclohexyl)methyl]pyrimidin-4-yl]-1-methylpyrazol-5-yl]-cyclopropylmethanol;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclobutylmethyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(2,2-dimethylpropyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[1-methyl-5-[(1-methylcyclopropyl)methyl]pyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine
CID 157633702
[4-[2-[(4-Aminocyclohexyl)methyl]pyrimidin-4-yl]-1-methylpyrazol-5-yl]-cyclopropylmethanol;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclobutylmethyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-1-methylcyclohexan-1-amine;4-[[4-[5-(2,2-dimethylpropyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[1-methyl-5-[(1-methylcyclopropyl)methyl]pyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine
CID 160358765

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[5-cyclopropyl-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethenylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[5-cyclopropyl-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethenylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine (CID 160962667) is 4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[5-cyclopropyl-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethenylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[5-cyclopropyl-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethenylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[5-cyclopropyl-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethenylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine is C=Cc1cnc(CC2CCC(N)CC2)nc1-c1nnn(C)c1CC1CC1.CCc1cnc(CC2CCC(N)CC2)nc1-c1nnn(C)c1CC1CC1.Cn1nnc(-c2ccnc(CC3CCC(O)CC3)n2)c1CC1CC1.Cn1nnc(-c2nc(CC3CCC(N)CC3)ncc2C(F)(F)F)c1CC1CC1.Cn1nnc(-c2nc(CC3CCC(N)CC3)ncc2C2CC2)c1CC1CC1.Cn1nnc(-c2nc(CC3CCC(N)CC3)ncc2F)c1CC1CC1.Cn1nnc(-c2nc(CC3CCC(O)CC3)ncc2Cl)c1CC1CC1.Cn1nnc(-c2nc(CC3CCC(O)CC3)ncc2F)c1CC1CC1.
What is the InChIKey of 4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[5-cyclopropyl-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethenylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine?
The InChIKey is SXEZLGVRORSUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6.C20H30N6.C20H28N6.C19H25F3N6.C18H24ClN5O.C18H25FN6.C18H24FN5O.C18H25N5O/c1-27-18(10-13-2-3-13)21(25-26-27)20-17(15-6-7-15)12-23-19(24-20)11-14-4-8-16(22)9-5-14;2*1-3-15-12-22-18(11-14-6-8-16(21)9-7-14)23-19(15)20-17(10-13-4-5-13)26(2)25-24-20;1-28-15(8-11-2-3-11)18(26-27-28)17-14(19(20,21)22)10-24-16(25-17)9-12-4-6-13(23)7-5-12;1-24-15(8-11-2-3-11)18(22-23-24)17-14(19)10-20-16(21-17)9-12-4-6-13(25)7-5-12;1-25-15(8-11-2-3-11)18(23-24-25)17-14(19)10-21-16(22-17)9-12-4-6-13(20)7-5-12;1-24-15(8-11-2-3-11)18(22-23-24)17-14(19)10-20-16(21-17)9-12-4-6-13(25)7-5-12;1-23-16(10-12-2-3-12)18(21-22-23)15-8-9-19-17(20-15)11-13-4-6-14(24)7-5-13/h12-16H,2-11,22H2,1H3;12-14,16H,3-11,21H2,1-2H3;3,12-14,16H,1,4-11,21H2,2H3;10-13H,2-9,23H2,1H3;10-13,25H,2-9H2,1H3;10-13H,2-9,20H2,1H3;10-13,25H,2-9H2,1H3;8-9,12-14,24H,2-7,10-11H2,1H3.
What are the key properties of 4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[5-cyclopropyl-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethenylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine?
4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[5-cyclopropyl-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethenylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine has a molecular weight of 2847.11 g/mol, XLogP of 22.41, 43 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[5-cyclopropyl-4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethenylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-ethylpyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-ol;4-[[4-[5-(cyclopropylmethyl)-1-methyltriazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 160962667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).