[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

C140H200Cl2F3N35O — CID 159468987

IUPAC[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
SMILESCC(C)n1ncc(-c2nc(CC3CCC(N)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2ccnc(CC3CCC(C)(N)CC3)n2)c1CC1CC1.Cn1ncc(-c2ccnc(CC3CCC(N)CC3)n2)c1C(O)C1CC1.Cn1ncc(-c2ccnc(CC3CCC(N)CC3)n2)c1CC(C)(C)C.Cn1ncc(-c2ccnc(CC3CCC(N)CC3)n2)c1CC1(C)CC1.Cn1ncc(-c2nc(CC3CCC(C)(N)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(CC3CCC(N)CC3)ncc2C(F)(F)F)c1CC1CC1
InChIInChI=1S/C21H30ClN5.C20H28ClN5.C20H26F3N5.2C20H29N5.C20H31N5.C19H27N5O/c1-13(2)27-19(9-14-3-4-14)17(11-25-27)21-18(22)12-24-20(26-21)10-15-5-7-16(23)8-6-15;1-20(22)7-5-14(6-8-20)10-18-23-12-16(21)19(25-18)15-11-24-26(2)17(15)9-13-3-4-13;1-28-17(8-12-2-3-12)15(10-26-28)19-16(20(21,22)23)11-25-18(27-19)9-13-4-6-14(24)7-5-13;1-20(8-9-20)12-18-16(13-23-25(18)2)17-7-10-22-19(24-17)11-14-3-5-15(21)6-4-14;1-20(21)8-5-15(6-9-20)12-19-22-10-7-17(24-19)16-13-23-25(2)18(16)11-14-3-4-14;1-20(2,3)12-18-16(13-23-25(18)4)17-9-10-22-19(24-17)11-14-5-7-15(21)8-6-14;1-24-18(19(25)13-4-5-13)15(11-22-24)16-8-9-21-17(23-16)10-12-2-6-14(20)7-3-12/h11-16H,3-10,23H2,1-2H3;11-14H,3-10,22H2,1-2H3;10-14H,2-9,24H2,1H3;2*7,10,13-15H,3-6,8-9,11-12,21H2,1-2H3;9-10,13-15H,5-8,11-12,21H2,1-4H3;8-9,11-14,19,25H,2-7,10,20H2,1H3
InChIKeyLVOAAHSFCNNFPN-UHFFFAOYSA-N
MW2517.28 g/mol
LogP24.89
Rot. Bonds35

About [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

[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 (PubChem CID 159468987) has the molecular formula C140H200Cl2F3N35O and a molecular weight of 2517.28 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID159468987
Molecular FormulaC140H200Cl2F3N35O
Molecular Weight2517.28 g/mol
Exact Mass2514.60
IUPAC Name[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
SMILESCC(C)n1ncc(-c2nc(CC3CCC(N)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2ccnc(CC3CCC(C)(N)CC3)n2)c1CC1CC1.Cn1ncc(-c2ccnc(CC3CCC(N)CC3)n2)c1C(O)C1CC1.Cn1ncc(-c2ccnc(CC3CCC(N)CC3)n2)c1CC(C)(C)C.Cn1ncc(-c2ccnc(CC3CCC(N)CC3)n2)c1CC1(C)CC1.Cn1ncc(-c2nc(CC3CCC(C)(N)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(CC3CCC(N)CC3)ncc2C(F)(F)F)c1CC1CC1
InChIInChI=1S/C21H30ClN5.C20H28ClN5.C20H26F3N5.2C20H29N5.C20H31N5.C19H27N5O/c1-13(2)27-19(9-14-3-4-14)17(11-25-27)21-18(22)12-24-20(26-21)10-15-5-7-16(23)8-6-15;1-20(22)7-5-14(6-8-20)10-18-23-12-16(21)19(25-18)15-11-24-26(2)17(15)9-13-3-4-13;1-28-17(8-12-2-3-12)15(10-26-28)19-16(20(21,22)23)11-25-18(27-19)9-13-4-6-14(24)7-5-13;1-20(8-9-20)12-18-16(13-23-25(18)2)17-7-10-22-19(24-17)11-14-3-5-15(21)6-4-14;1-20(21)8-5-15(6-9-20)12-19-22-10-7-17(24-19)16-13-23-25(2)18(16)11-14-3-4-14;1-20(2,3)12-18-16(13-23-25(18)4)17-9-10-22-19(24-17)11-14-5-7-15(21)8-6-14;1-24-18(19(25)13-4-5-13)15(11-22-24)16-8-9-21-17(23-16)10-12-2-6-14(20)7-3-12/h11-16H,3-10,23H2,1-2H3;11-14H,3-10,22H2,1-2H3;10-14H,2-9,24H2,1H3;2*7,10,13-15H,3-6,8-9,11-12,21H2,1-2H3;9-10,13-15H,5-8,11-12,21H2,1-4H3;8-9,11-14,19,25H,2-7,10,20H2,1H3
InChIKeyLVOAAHSFCNNFPN-UHFFFAOYSA-N
XLogP24.89
TPSA507.57 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds35
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002517.28
LogP ≤ 524.89
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Analyze [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 with MolForge

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Launch Full Analysis

Related Compounds

4-N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-(3,5-dimethylpyrazol-1-yl)-6-N-(4-fluoro-3-methylphenyl)pyrimidine-4,6-diamine;2-(3-tert-butylpyrazol-1-yl)-4-[(4-fluorophenyl)methyl]-6-methylpyrimidine;N-[4-chloro-3-(1,1-difluoroethyl)phenyl]-6-methyl-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-9-propylpurin-2-amine;1-[1-[4-[(4-chlorophenyl)methyl]-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanol;2-(3-ethylpyrazol-1-yl)-4-[(4-fluorophenyl)methyl]-6-methylpyrimidine
CID 157964507
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-[[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
[5-Chloro-6-[1-[6-[2-[5-[2-[2-[4-[3-chloro-6-[(cyclopropylamino)methyl]-2-pyridinyl]pyrazol-1-yl]-6-cyclopropyl-4-pyridinyl]-5-fluorophenyl]-4-methyl-1,2,4-triazol-3-yl]cyclopropyl]-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-2-pyridinyl]methanol
CID 177367848
[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-[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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)n1ncc(-c2nc(CC3CCC(N)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2ccnc(CC3CCC(C)(N)CC3)n2)c1CC1CC1.Cn1ncc(-c2ccnc(CC3CCC(N)CC3)n2)c1C(O)C1CC1.Cn1ncc(-c2ccnc(CC3CCC(N)CC3)n2)c1CC(C)(C)C.Cn1ncc(-c2ccnc(CC3CCC(N)CC3)n2)c1CC1(C)CC1.Cn1ncc(-c2nc(CC3CCC(C)(N)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(CC3CCC(N)CC3)ncc2C(F)(F)F)c1CC1CC1.
What is the InChIKey of [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?
The InChIKey is LVOAAHSFCNNFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN5.C20H28ClN5.C20H26F3N5.2C20H29N5.C20H31N5.C19H27N5O/c1-13(2)27-19(9-14-3-4-14)17(11-25-27)21-18(22)12-24-20(26-21)10-15-5-7-16(23)8-6-15;1-20(22)7-5-14(6-8-20)10-18-23-12-16(21)19(25-18)15-11-24-26(2)17(15)9-13-3-4-13;1-28-17(8-12-2-3-12)15(10-26-28)19-16(20(21,22)23)11-25-18(27-19)9-13-4-6-14(24)7-5-13;1-20(8-9-20)12-18-16(13-23-25(18)2)17-7-10-22-19(24-17)11-14-3-5-15(21)6-4-14;1-20(21)8-5-15(6-9-20)12-19-22-10-7-17(24-19)16-13-23-25(2)18(16)11-14-3-4-14;1-20(2,3)12-18-16(13-23-25(18)4)17-9-10-22-19(24-17)11-14-5-7-15(21)8-6-14;1-24-18(19(25)13-4-5-13)15(11-22-24)16-8-9-21-17(23-16)10-12-2-6-14(20)7-3-12/h11-16H,3-10,23H2,1-2H3;11-14H,3-10,22H2,1-2H3;10-14H,2-9,24H2,1H3;2*7,10,13-15H,3-6,8-9,11-12,21H2,1-2H3;9-10,13-15H,5-8,11-12,21H2,1-4H3;8-9,11-14,19,25H,2-7,10,20H2,1H3.
What are the key properties of [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?
[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 has a molecular weight of 2517.28 g/mol, XLogP of 24.89, 35 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 159468987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).