1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-chloro-4-methylphenyl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea

C116H118Cl4F24N42O12 — CID 159714738

IUPAC1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-chloro-4-methylphenyl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea
SMILESCONc1cc(C(F)(F)F)nc(NC(=O)Nc2ccc(C)c(Cl)c2)n1.CONc1cc(C(F)(F)F)nc(NC(=O)Nc2ccc(C)cc2)n1.Cc1ccc(NC(=O)Nc2nc(N)cc(C(F)(F)F)n2)cc1.Cc1ccc(NC(=O)Nc2nc(N)cc(C(F)(F)F)n2)cc1Cl.Cc1ccc(NC(=O)Nc2nc(NCCCN(C)C)cc(C(F)(F)F)n2)cc1.Cc1ccc(NC(=O)Nc2nc(NCCCN(C)C)cc(C(F)(F)F)n2)cc1Cl.Cc1ccc(NC(=O)Nc2nc(NO)cc(C(F)(F)F)n2)cc1.Cc1ccc(NC(=O)Nc2nc(NO)cc(C(F)(F)F)n2)cc1Cl
InChIInChI=1S/C18H22ClF3N6O.C18H23F3N6O.C14H13ClF3N5O2.C14H14F3N5O2.C13H11ClF3N5O2.C13H11ClF3N5O.C13H12F3N5O2.C13H12F3N5O/c1-11-5-6-12(9-13(11)19)24-17(29)27-16-25-14(18(20,21)22)10-15(26-16)23-7-4-8-28(2)3;1-12-5-7-13(8-6-12)23-17(28)26-16-24-14(18(19,20)21)11-15(25-16)22-9-4-10-27(2)3;1-7-3-4-8(5-9(7)15)19-13(24)22-12-20-10(14(16,17)18)6-11(21-12)23-25-2;1-8-3-5-9(6-4-8)18-13(23)21-12-19-10(14(15,16)17)7-11(20-12)22-24-2;1-6-2-3-7(4-8(6)14)18-12(23)21-11-19-9(13(15,16)17)5-10(20-11)22-24;1-6-2-3-7(4-8(6)14)19-12(23)22-11-20-9(13(15,16)17)5-10(18)21-11;1-7-2-4-8(5-3-7)17-12(22)20-11-18-9(13(14,15)16)6-10(19-11)21-23;1-7-2-4-8(5-3-7)18-12(22)21-11-19-9(13(14,15)16)6-10(17)20-11/h5-6,9-10H,4,7-8H2,1-3H3,(H3,23,24,25,26,27,29);5-8,11H,4,9-10H2,1-3H3,(H3,22,23,24,25,26,28);3-6H,1-2H3,(H3,19,20,21,22,23,24);3-7H,1-2H3,(H3,18,19,20,21,22,23);2-5,24H,1H3,(H3,18,19,20,21,22,23);2-5H,1H3,(H4,18,19,20,21,22,23);2-6,23H,1H3,(H3,17,18,19,20,21,22);2-6H,1H3,(H4,17,18,19,20,21,22)
InChIKeyMZHBSYQJBABLIH-UHFFFAOYSA-N
MW2890.27 g/mol
LogP29.64
Rot. Bonds32

About 1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-chloro-4-methylphenyl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea

1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-chloro-4-methylphenyl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea (PubChem CID 159714738) has the molecular formula C116H118Cl4F24N42O12 and a molecular weight of 2890.27 g/mol. Its IUPAC name is 1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-chloro-4-methylphenyl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-chloro-4-methylphenyl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea
PubChem CID159714738
Molecular FormulaC116H118Cl4F24N42O12
Molecular Weight2890.27 g/mol
Exact Mass2886.83
IUPAC Name1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-chloro-4-methylphenyl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea
SMILESCONc1cc(C(F)(F)F)nc(NC(=O)Nc2ccc(C)c(Cl)c2)n1.CONc1cc(C(F)(F)F)nc(NC(=O)Nc2ccc(C)cc2)n1.Cc1ccc(NC(=O)Nc2nc(N)cc(C(F)(F)F)n2)cc1.Cc1ccc(NC(=O)Nc2nc(N)cc(C(F)(F)F)n2)cc1Cl.Cc1ccc(NC(=O)Nc2nc(NCCCN(C)C)cc(C(F)(F)F)n2)cc1.Cc1ccc(NC(=O)Nc2nc(NCCCN(C)C)cc(C(F)(F)F)n2)cc1Cl.Cc1ccc(NC(=O)Nc2nc(NO)cc(C(F)(F)F)n2)cc1.Cc1ccc(NC(=O)Nc2nc(NO)cc(C(F)(F)F)n2)cc1Cl
InChIInChI=1S/C18H22ClF3N6O.C18H23F3N6O.C14H13ClF3N5O2.C14H14F3N5O2.C13H11ClF3N5O2.C13H11ClF3N5O.C13H12F3N5O2.C13H12F3N5O/c1-11-5-6-12(9-13(11)19)24-17(29)27-16-25-14(18(20,21)22)10-15(26-16)23-7-4-8-28(2)3;1-12-5-7-13(8-6-12)23-17(28)26-16-24-14(18(19,20)21)11-15(25-16)22-9-4-10-27(2)3;1-7-3-4-8(5-9(7)15)19-13(24)22-12-20-10(14(16,17)18)6-11(21-12)23-25-2;1-8-3-5-9(6-4-8)18-13(23)21-12-19-10(14(15,16)17)7-11(20-12)22-24-2;1-6-2-3-7(4-8(6)14)18-12(23)21-11-19-9(13(15,16)17)5-10(20-11)22-24;1-6-2-3-7(4-8(6)14)19-12(23)22-11-20-9(13(15,16)17)5-10(18)21-11;1-7-2-4-8(5-3-7)17-12(22)20-11-18-9(13(14,15)16)6-10(19-11)21-23;1-7-2-4-8(5-3-7)18-12(22)21-11-19-9(13(14,15)16)6-10(17)20-11/h5-6,9-10H,4,7-8H2,1-3H3,(H3,23,24,25,26,27,29);5-8,11H,4,9-10H2,1-3H3,(H3,22,23,24,25,26,28);3-6H,1-2H3,(H3,19,20,21,22,23,24);3-7H,1-2H3,(H3,18,19,20,21,22,23);2-5,24H,1H3,(H3,18,19,20,21,22,23);2-5H,1H3,(H4,18,19,20,21,22,23);2-6,23H,1H3,(H3,17,18,19,20,21,22);2-6H,1H3,(H4,17,18,19,20,21,22)
InChIKeyMZHBSYQJBABLIH-UHFFFAOYSA-N
XLogP29.64
TPSA724.90 Ų
H-Bond Donors26
H-Bond Acceptors38
Rotatable Bonds32
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002890.27
LogP ≤ 529.64
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze 1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-chloro-4-methylphenyl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea with MolForge

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Related Compounds

1-[4-Amino-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-chloro-4-methylphenyl)urea;1-[4-amino-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea
CID 158974891
1-(4-Chloro-6-methylpyrimidin-2-yl)-3-[4-(trifluoromethyl)phenyl]urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 159215857
1-[4-Amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(6-chloro-7-methylnaphthalen-2-yl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-(6-chloro-7-methylnaphthalen-2-yl)-3-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(6-chloro-7-methylnaphthalen-2-yl)-3-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(6-chloro-7-methylnaphthalen-2-yl)-3-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea
CID 161320483
1-[4-Amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-naphthalen-2-ylurea
CID 161921835
tert-butyl 4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-chloro-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine;dichloromethane;2,4-dichloro-6-methylpyrimidine;4-methylaniline;6-methyl-N-(4-methylphenyl)-2-piperazin-1-ylpyrimidin-4-amine;2,2,2-trifluoroacetaldehyde
CID 162072627
1-[4-Amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea
CID 162230978
tert-butyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;dichloromethane;2,4-dichloro-6-methylpyrimidine;4-methylaniline;4-methyl-N-(4-methylphenyl)-6-piperazin-1-ylpyrimidin-2-amine
CID 157054589
N-[4-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)phenyl]acetamide;N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]acetamide;N-[4-(2,6-dichloropyrimidin-4-yl)phenyl]acetamide;morpholine
CID 157919298
1-(4-Amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(6-methylnaphthalen-2-yl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea
CID 158071566
1-(4-Amino-6-methylpyrimidin-2-yl)-3-(6-chloro-7-methylnaphthalen-2-yl)urea;1-(4-amino-6-methylpyrimidin-2-yl)-3-(6-methylnaphthalen-2-yl)urea;1-(6-chloro-7-methylnaphthalen-2-yl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(6-chloro-7-methylnaphthalen-2-yl)-3-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]urea;1-(6-chloro-7-methylnaphthalen-2-yl)-3-[4-(methoxyamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea
CID 158359968
1-(4-Amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(6-chloro-7-methylnaphthalen-2-yl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(7-methylnaphthalen-2-yl)urea;1-(6-chloro-7-methylnaphthalen-2-yl)-3-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]urea;1-(6-chloro-7-methylnaphthalen-2-yl)-3-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]urea;1-(6-chloro-7-methylnaphthalen-2-yl)-3-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea
CID 159678854
1-(4-Amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(6-methylnaphthalen-2-yl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(7-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea
CID 160583569

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-chloro-4-methylphenyl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-chloro-4-methylphenyl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea (CID 159714738) is 1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-chloro-4-methylphenyl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-chloro-4-methylphenyl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-chloro-4-methylphenyl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea is CONc1cc(C(F)(F)F)nc(NC(=O)Nc2ccc(C)c(Cl)c2)n1.CONc1cc(C(F)(F)F)nc(NC(=O)Nc2ccc(C)cc2)n1.Cc1ccc(NC(=O)Nc2nc(N)cc(C(F)(F)F)n2)cc1.Cc1ccc(NC(=O)Nc2nc(N)cc(C(F)(F)F)n2)cc1Cl.Cc1ccc(NC(=O)Nc2nc(NCCCN(C)C)cc(C(F)(F)F)n2)cc1.Cc1ccc(NC(=O)Nc2nc(NCCCN(C)C)cc(C(F)(F)F)n2)cc1Cl.Cc1ccc(NC(=O)Nc2nc(NO)cc(C(F)(F)F)n2)cc1.Cc1ccc(NC(=O)Nc2nc(NO)cc(C(F)(F)F)n2)cc1Cl.
What is the InChIKey of 1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-chloro-4-methylphenyl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea?
The InChIKey is MZHBSYQJBABLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClF3N6O.C18H23F3N6O.C14H13ClF3N5O2.C14H14F3N5O2.C13H11ClF3N5O2.C13H11ClF3N5O.C13H12F3N5O2.C13H12F3N5O/c1-11-5-6-12(9-13(11)19)24-17(29)27-16-25-14(18(20,21)22)10-15(26-16)23-7-4-8-28(2)3;1-12-5-7-13(8-6-12)23-17(28)26-16-24-14(18(19,20)21)11-15(25-16)22-9-4-10-27(2)3;1-7-3-4-8(5-9(7)15)19-13(24)22-12-20-10(14(16,17)18)6-11(21-12)23-25-2;1-8-3-5-9(6-4-8)18-13(23)21-12-19-10(14(15,16)17)7-11(20-12)22-24-2;1-6-2-3-7(4-8(6)14)18-12(23)21-11-19-9(13(15,16)17)5-10(20-11)22-24;1-6-2-3-7(4-8(6)14)19-12(23)22-11-20-9(13(15,16)17)5-10(18)21-11;1-7-2-4-8(5-3-7)17-12(22)20-11-18-9(13(14,15)16)6-10(19-11)21-23;1-7-2-4-8(5-3-7)18-12(22)21-11-19-9(13(14,15)16)6-10(17)20-11/h5-6,9-10H,4,7-8H2,1-3H3,(H3,23,24,25,26,27,29);5-8,11H,4,9-10H2,1-3H3,(H3,22,23,24,25,26,28);3-6H,1-2H3,(H3,19,20,21,22,23,24);3-7H,1-2H3,(H3,18,19,20,21,22,23);2-5,24H,1H3,(H3,18,19,20,21,22,23);2-5H,1H3,(H4,18,19,20,21,22,23);2-6,23H,1H3,(H3,17,18,19,20,21,22);2-6H,1H3,(H4,17,18,19,20,21,22).
What are the key properties of 1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-chloro-4-methylphenyl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea?
1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-chloro-4-methylphenyl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea has a molecular weight of 2890.27 g/mol, XLogP of 29.64, 32 rotatable bonds, 26 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-chloro-4-methylphenyl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 159714738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).