6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-phenylpyrrolidin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine

C123H133ClF4N36O — CID 158141761

IUPAC6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-phenylpyrrolidin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCOc1ccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)cc1.Cc1ccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)cc1.Clc1ccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)cc1.FC(F)(F)c1ccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)cc1.Fc1ccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)cc1.c1ccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)cc1
InChIInChI=1S/C21H21F3N6.C21H24N6O.C21H24N6.C20H21ClN6.C20H21FN6.C20H22N6/c22-21(23,24)15-7-5-14(6-8-15)17-2-1-9-30(17)20-11-18(25-12-26-20)27-19-10-16(28-29-19)13-3-4-13;1-28-16-8-6-15(7-9-16)18-3-2-10-27(18)21-12-19(22-13-23-21)24-20-11-17(25-26-20)14-4-5-14;1-14-4-6-16(7-5-14)18-3-2-10-27(18)21-12-19(22-13-23-21)24-20-11-17(25-26-20)15-8-9-15;2*21-15-7-5-14(6-8-15)17-2-1-9-27(17)20-11-18(22-12-23-20)24-19-10-16(25-26-19)13-3-4-13;1-2-5-15(6-3-1)17-7-4-10-26(17)20-12-18(21-13-22-20)23-19-11-16(24-25-19)14-8-9-14/h5-8,10-13,17H,1-4,9H2,(H2,25,26,27,28,29);6-9,11-14,18H,2-5,10H2,1H3,(H2,22,23,24,25,26);4-7,11-13,15,18H,2-3,8-10H2,1H3,(H2,22,23,24,25,26);2*5-8,10-13,17H,1-4,9H2,(H2,22,23,24,25,26);1-3,5-6,11-14,17H,4,7-10H2,(H2,21,22,23,24,25)
InChIKeyFUAKHYNMOXHFCQ-UHFFFAOYSA-N
MW2243.11 g/mol
LogP27.10
Rot. Bonds31

About 6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-phenylpyrrolidin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine

6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-phenylpyrrolidin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 158141761) has the molecular formula C123H133ClF4N36O and a molecular weight of 2243.11 g/mol. Its IUPAC name is 6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-phenylpyrrolidin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-phenylpyrrolidin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID158141761
Molecular FormulaC123H133ClF4N36O
Molecular Weight2243.11 g/mol
Exact Mass2241.11
IUPAC Name6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-phenylpyrrolidin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCOc1ccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)cc1.Cc1ccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)cc1.Clc1ccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)cc1.FC(F)(F)c1ccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)cc1.Fc1ccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)cc1.c1ccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)cc1
InChIInChI=1S/C21H21F3N6.C21H24N6O.C21H24N6.C20H21ClN6.C20H21FN6.C20H22N6/c22-21(23,24)15-7-5-14(6-8-15)17-2-1-9-30(17)20-11-18(25-12-26-20)27-19-10-16(28-29-19)13-3-4-13;1-28-16-8-6-15(7-9-16)18-3-2-10-27(18)21-12-19(22-13-23-21)24-20-11-17(25-26-20)14-4-5-14;1-14-4-6-16(7-5-14)18-3-2-10-27(18)21-12-19(22-13-23-21)24-20-11-17(25-26-20)15-8-9-15;2*21-15-7-5-14(6-8-15)17-2-1-9-27(17)20-11-18(22-12-23-20)24-19-10-16(25-26-19)13-3-4-13;1-2-5-15(6-3-1)17-7-4-10-26(17)20-12-18(21-13-22-20)23-19-11-16(24-25-19)14-8-9-14/h5-8,10-13,17H,1-4,9H2,(H2,25,26,27,28,29);6-9,11-14,18H,2-5,10H2,1H3,(H2,22,23,24,25,26);4-7,11-13,15,18H,2-3,8-10H2,1H3,(H2,22,23,24,25,26);2*5-8,10-13,17H,1-4,9H2,(H2,22,23,24,25,26);1-3,5-6,11-14,17H,4,7-10H2,(H2,21,22,23,24,25)
InChIKeyFUAKHYNMOXHFCQ-UHFFFAOYSA-N
XLogP27.10
TPSA427.61 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds31
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002243.11
LogP ≤ 527.10
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Analyze 6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-phenylpyrrolidin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine with MolForge

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Related Compounds

6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 157726822
CID 158064756
CID 158064756
6-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 159128194
N-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-(3,5-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;(3R)-1-[2-[(2-methyl-4-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]piperidin-3-ol;N-(2-methyl-4-pyridinyl)-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 159735655
5-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-ethyl-4-pyridinyl)-5-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-ethyl-4-pyridinyl)-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;(3R)-1-[2-[(2-methyl-4-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]piperidin-3-ol;N-(2-methyl-4-pyridinyl)-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 161241655
8-[2-Chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 162211309
1-[4-[3-(3-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 162235611
8-(2-Chloro-6-methyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-ethyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methoxy-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 164995208
8-[2-Chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;3-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 165089838
4-N-[1-(4-fluorophenyl)ethyl]-6-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(4-fluorophenyl)ethyl]-6-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(4-fluorophenyl)ethyl]-6-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(4-fluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine
CID 157145186
4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 157170843
2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine
CID 157189209

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-phenylpyrrolidin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-phenylpyrrolidin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine (CID 158141761) is 6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-phenylpyrrolidin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-phenylpyrrolidin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-phenylpyrrolidin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine is COc1ccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)cc1.Cc1ccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)cc1.Clc1ccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)cc1.FC(F)(F)c1ccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)cc1.Fc1ccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)cc1.c1ccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)cc1.
What is the InChIKey of 6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-phenylpyrrolidin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is FUAKHYNMOXHFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6.C21H24N6O.C21H24N6.C20H21ClN6.C20H21FN6.C20H22N6/c22-21(23,24)15-7-5-14(6-8-15)17-2-1-9-30(17)20-11-18(25-12-26-20)27-19-10-16(28-29-19)13-3-4-13;1-28-16-8-6-15(7-9-16)18-3-2-10-27(18)21-12-19(22-13-23-21)24-20-11-17(25-26-20)14-4-5-14;1-14-4-6-16(7-5-14)18-3-2-10-27(18)21-12-19(22-13-23-21)24-20-11-17(25-26-20)15-8-9-15;2*21-15-7-5-14(6-8-15)17-2-1-9-27(17)20-11-18(22-12-23-20)24-19-10-16(25-26-19)13-3-4-13;1-2-5-15(6-3-1)17-7-4-10-26(17)20-12-18(21-13-22-20)23-19-11-16(24-25-19)14-8-9-14/h5-8,10-13,17H,1-4,9H2,(H2,25,26,27,28,29);6-9,11-14,18H,2-5,10H2,1H3,(H2,22,23,24,25,26);4-7,11-13,15,18H,2-3,8-10H2,1H3,(H2,22,23,24,25,26);2*5-8,10-13,17H,1-4,9H2,(H2,22,23,24,25,26);1-3,5-6,11-14,17H,4,7-10H2,(H2,21,22,23,24,25).
What are the key properties of 6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-phenylpyrrolidin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine?
6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-phenylpyrrolidin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 2243.11 g/mol, XLogP of 27.10, 31 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-phenylpyrrolidin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 158141761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).