1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-chloro-4-methylphenyl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea

C116H134Cl4F8N42O12 — CID 160629106

IUPAC1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-chloro-4-methylphenyl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea
SMILESCONc1nc(NC(=O)Nc2ccc(C)c(Cl)c2)nc(C)c1F.CONc1nc(NC(=O)Nc2ccc(C)cc2)nc(C)c1F.Cc1ccc(NC(=O)Nc2nc(C)c(F)c(N)n2)cc1.Cc1ccc(NC(=O)Nc2nc(C)c(F)c(N)n2)cc1Cl.Cc1ccc(NC(=O)Nc2nc(C)c(F)c(NCCCN(C)C)n2)cc1.Cc1ccc(NC(=O)Nc2nc(C)c(F)c(NCCCN(C)C)n2)cc1Cl.Cc1ccc(NC(=O)Nc2nc(C)c(F)c(NO)n2)cc1.Cc1ccc(NC(=O)Nc2nc(C)c(F)c(NO)n2)cc1Cl
InChIInChI=1S/C18H24ClFN6O.C18H25FN6O.C14H15ClFN5O2.C14H16FN5O2.C13H13ClFN5O2.C13H13ClFN5O.C13H14FN5O2.C13H14FN5O/c1-11-6-7-13(10-14(11)19)23-18(27)25-17-22-12(2)15(20)16(24-17)21-8-5-9-26(3)4;1-12-6-8-14(9-7-12)22-18(26)24-17-21-13(2)15(19)16(23-17)20-10-5-11-25(3)4;1-7-4-5-9(6-10(7)15)18-14(22)20-13-17-8(2)11(16)12(19-13)21-23-3;1-8-4-6-10(7-5-8)17-14(21)19-13-16-9(2)11(15)12(18-13)20-22-3;1-6-3-4-8(5-9(6)14)17-13(21)19-12-16-7(2)10(15)11(18-12)20-22;1-6-3-4-8(5-9(6)14)18-13(21)20-12-17-7(2)10(15)11(16)19-12;1-7-3-5-9(6-4-7)16-13(20)18-12-15-8(2)10(14)11(17-12)19-21;1-7-3-5-9(6-4-7)17-13(20)19-12-16-8(2)10(14)11(15)18-12/h6-7,10H,5,8-9H2,1-4H3,(H3,21,22,23,24,25,27);6-9H,5,10-11H2,1-4H3,(H3,20,21,22,23,24,26);4-6H,1-3H3,(H3,17,18,19,20,21,22);4-7H,1-3H3,(H3,16,17,18,19,20,21);3-5,22H,1-2H3,(H3,16,17,18,19,20,21);3-5H,1-2H3,(H4,16,17,18,19,20,21);3-6,21H,1-2H3,(H3,15,16,17,18,19,20);3-6H,1-2H3,(H4,15,16,17,18,19,20)
InChIKeyRHRROUWRPUYOQZ-UHFFFAOYSA-N
MW2602.43 g/mol
LogP25.07
Rot. Bonds32

About 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-chloro-4-methylphenyl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea

1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-chloro-4-methylphenyl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea (PubChem CID 160629106) has the molecular formula C116H134Cl4F8N42O12 and a molecular weight of 2602.43 g/mol. Its IUPAC name is 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-chloro-4-methylphenyl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-chloro-4-methylphenyl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea
PubChem CID160629106
Molecular FormulaC116H134Cl4F8N42O12
Molecular Weight2602.43 g/mol
Exact Mass2598.98
IUPAC Name1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-chloro-4-methylphenyl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea
SMILESCONc1nc(NC(=O)Nc2ccc(C)c(Cl)c2)nc(C)c1F.CONc1nc(NC(=O)Nc2ccc(C)cc2)nc(C)c1F.Cc1ccc(NC(=O)Nc2nc(C)c(F)c(N)n2)cc1.Cc1ccc(NC(=O)Nc2nc(C)c(F)c(N)n2)cc1Cl.Cc1ccc(NC(=O)Nc2nc(C)c(F)c(NCCCN(C)C)n2)cc1.Cc1ccc(NC(=O)Nc2nc(C)c(F)c(NCCCN(C)C)n2)cc1Cl.Cc1ccc(NC(=O)Nc2nc(C)c(F)c(NO)n2)cc1.Cc1ccc(NC(=O)Nc2nc(C)c(F)c(NO)n2)cc1Cl
InChIInChI=1S/C18H24ClFN6O.C18H25FN6O.C14H15ClFN5O2.C14H16FN5O2.C13H13ClFN5O2.C13H13ClFN5O.C13H14FN5O2.C13H14FN5O/c1-11-6-7-13(10-14(11)19)23-18(27)25-17-22-12(2)15(20)16(24-17)21-8-5-9-26(3)4;1-12-6-8-14(9-7-12)22-18(26)24-17-21-13(2)15(19)16(23-17)20-10-5-11-25(3)4;1-7-4-5-9(6-10(7)15)18-14(22)20-13-17-8(2)11(16)12(19-13)21-23-3;1-8-4-6-10(7-5-8)17-14(21)19-13-16-9(2)11(15)12(18-13)20-22-3;1-6-3-4-8(5-9(6)14)17-13(21)19-12-16-7(2)10(15)11(18-12)20-22;1-6-3-4-8(5-9(6)14)18-13(21)20-12-17-7(2)10(15)11(16)19-12;1-7-3-5-9(6-4-7)16-13(20)18-12-15-8(2)10(14)11(17-12)19-21;1-7-3-5-9(6-4-7)17-13(20)19-12-16-8(2)10(14)11(15)18-12/h6-7,10H,5,8-9H2,1-4H3,(H3,21,22,23,24,25,27);6-9H,5,10-11H2,1-4H3,(H3,20,21,22,23,24,26);4-6H,1-3H3,(H3,17,18,19,20,21,22);4-7H,1-3H3,(H3,16,17,18,19,20,21);3-5,22H,1-2H3,(H3,16,17,18,19,20,21);3-5H,1-2H3,(H4,16,17,18,19,20,21);3-6,21H,1-2H3,(H3,15,16,17,18,19,20);3-6H,1-2H3,(H4,15,16,17,18,19,20)
InChIKeyRHRROUWRPUYOQZ-UHFFFAOYSA-N
XLogP25.07
TPSA724.90 Ų
H-Bond Donors26
H-Bond Acceptors38
Rotatable Bonds32
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002602.43
LogP ≤ 525.07
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-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-chloro-4-methylphenyl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-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-(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
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-chloro-4-methylphenyl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-chloro-4-methylphenyl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea (CID 160629106) is 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-chloro-4-methylphenyl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-chloro-4-methylphenyl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-chloro-4-methylphenyl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea is CONc1nc(NC(=O)Nc2ccc(C)c(Cl)c2)nc(C)c1F.CONc1nc(NC(=O)Nc2ccc(C)cc2)nc(C)c1F.Cc1ccc(NC(=O)Nc2nc(C)c(F)c(N)n2)cc1.Cc1ccc(NC(=O)Nc2nc(C)c(F)c(N)n2)cc1Cl.Cc1ccc(NC(=O)Nc2nc(C)c(F)c(NCCCN(C)C)n2)cc1.Cc1ccc(NC(=O)Nc2nc(C)c(F)c(NCCCN(C)C)n2)cc1Cl.Cc1ccc(NC(=O)Nc2nc(C)c(F)c(NO)n2)cc1.Cc1ccc(NC(=O)Nc2nc(C)c(F)c(NO)n2)cc1Cl.
What is the InChIKey of 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-chloro-4-methylphenyl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea?
The InChIKey is RHRROUWRPUYOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClFN6O.C18H25FN6O.C14H15ClFN5O2.C14H16FN5O2.C13H13ClFN5O2.C13H13ClFN5O.C13H14FN5O2.C13H14FN5O/c1-11-6-7-13(10-14(11)19)23-18(27)25-17-22-12(2)15(20)16(24-17)21-8-5-9-26(3)4;1-12-6-8-14(9-7-12)22-18(26)24-17-21-13(2)15(19)16(23-17)20-10-5-11-25(3)4;1-7-4-5-9(6-10(7)15)18-14(22)20-13-17-8(2)11(16)12(19-13)21-23-3;1-8-4-6-10(7-5-8)17-14(21)19-13-16-9(2)11(15)12(18-13)20-22-3;1-6-3-4-8(5-9(6)14)17-13(21)19-12-16-7(2)10(15)11(18-12)20-22;1-6-3-4-8(5-9(6)14)18-13(21)20-12-17-7(2)10(15)11(16)19-12;1-7-3-5-9(6-4-7)16-13(20)18-12-15-8(2)10(14)11(17-12)19-21;1-7-3-5-9(6-4-7)17-13(20)19-12-16-8(2)10(14)11(15)18-12/h6-7,10H,5,8-9H2,1-4H3,(H3,21,22,23,24,25,27);6-9H,5,10-11H2,1-4H3,(H3,20,21,22,23,24,26);4-6H,1-3H3,(H3,17,18,19,20,21,22);4-7H,1-3H3,(H3,16,17,18,19,20,21);3-5,22H,1-2H3,(H3,16,17,18,19,20,21);3-5H,1-2H3,(H4,16,17,18,19,20,21);3-6,21H,1-2H3,(H3,15,16,17,18,19,20);3-6H,1-2H3,(H4,15,16,17,18,19,20).
What are the key properties of 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-chloro-4-methylphenyl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea?
1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-chloro-4-methylphenyl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea has a molecular weight of 2602.43 g/mol, XLogP of 25.07, 32 rotatable bonds, 26 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-chloro-4-methylphenyl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 160629106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).