1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-fluoro-3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(2-methoxy-4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-phenylurea;1-(4-fluoro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]-3-phenylurea

C139H191Cl2F2N45O14 — CID 163862445

IUPAC1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-fluoro-3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(2-methoxy-4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-phenylurea;1-(4-fluoro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]-3-phenylurea
SMILESCOc1cc(C)c(Cl)cc1NC(=O)Nc1nc(C)cc(NCCCN(C)C)n1.COc1cc(C)c(Cl)cc1NC(=O)Nc1nc(C)cc(NCCCO)n1.COc1cc(C)ccc1NC(=O)Nc1nc(C)cc(NCCCN(C)C)n1.Cc1cc(NCCCN(C)C)nc(NC(=O)Nc2ccc(F)c(C)c2)n1.Cc1cc(NCCCN(C)C)nc(NC(=O)Nc2ccccc2)n1.Cc1cc(NCCCO)nc(NC(=O)Nc2ccc(F)c(C)c2)n1.Cc1cc(NCCCO)nc(NC(=O)Nc2ccccc2)n1.Cc1ccc(NC(=O)Nc2nc(C)cc(NCCCN(C)C)n2)cc1
InChIInChI=1S/C19H27ClN6O2.C19H28N6O2.C18H25FN6O.C18H26N6O.C17H22ClN5O3.C17H24N6O.C16H20FN5O2.C15H19N5O2/c1-12-9-16(28-5)15(11-14(12)20)23-19(27)25-18-22-13(2)10-17(24-18)21-7-6-8-26(3)4;1-13-7-8-15(16(11-13)27-5)22-19(26)24-18-21-14(2)12-17(23-18)20-9-6-10-25(3)4;1-12-10-14(6-7-15(12)19)22-18(26)24-17-21-13(2)11-16(23-17)20-8-5-9-25(3)4;1-13-6-8-15(9-7-13)21-18(25)23-17-20-14(2)12-16(22-17)19-10-5-11-24(3)4;1-10-7-14(26-3)13(9-12(10)18)21-17(25)23-16-20-11(2)8-15(22-16)19-5-4-6-24;1-13-12-15(18-10-7-11-23(2)3)21-16(19-13)22-17(24)20-14-8-5-4-6-9-14;1-10-8-12(4-5-13(10)17)20-16(24)22-15-19-11(2)9-14(21-15)18-6-3-7-23;1-11-10-13(16-8-5-9-21)19-14(17-11)20-15(22)18-12-6-3-2-4-7-12/h9-11H,6-8H2,1-5H3,(H3,21,22,23,24,25,27);7-8,11-12H,6,9-10H2,1-5H3,(H3,20,21,22,23,24,26);6-7,10-11H,5,8-9H2,1-4H3,(H3,20,21,22,23,24,26);6-9,12H,5,10-11H2,1-4H3,(H3,19,20,21,22,23,25);7-9,24H,4-6H2,1-3H3,(H3,19,20,21,22,23,25);4-6,8-9,12H,7,10-11H2,1-3H3,(H3,18,19,20,21,22,24);4-5,8-9,23H,3,6-7H2,1-2H3,(H3,18,19,20,21,22,24);2-4,6-7,10,21H,5,8-9H2,1H3,(H3,16,17,18,19,20,22)
InChIKeyPDTAVTUYWTZUFT-UHFFFAOYSA-N
MW2825.26 g/mol
LogP24.09
Rot. Bonds56

About 1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-fluoro-3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(2-methoxy-4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-phenylurea;1-(4-fluoro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]-3-phenylurea

1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-fluoro-3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(2-methoxy-4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-phenylurea;1-(4-fluoro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]-3-phenylurea (PubChem CID 163862445) has the molecular formula C139H191Cl2F2N45O14 and a molecular weight of 2825.26 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-fluoro-3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(2-methoxy-4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-phenylurea;1-(4-fluoro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-fluoro-3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(2-methoxy-4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-phenylurea;1-(4-fluoro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]-3-phenylurea
PubChem CID163862445
Molecular FormulaC139H191Cl2F2N45O14
Molecular Weight2825.26 g/mol
Exact Mass2822.50
IUPAC Name1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-fluoro-3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(2-methoxy-4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-phenylurea;1-(4-fluoro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]-3-phenylurea
SMILESCOc1cc(C)c(Cl)cc1NC(=O)Nc1nc(C)cc(NCCCN(C)C)n1.COc1cc(C)c(Cl)cc1NC(=O)Nc1nc(C)cc(NCCCO)n1.COc1cc(C)ccc1NC(=O)Nc1nc(C)cc(NCCCN(C)C)n1.Cc1cc(NCCCN(C)C)nc(NC(=O)Nc2ccc(F)c(C)c2)n1.Cc1cc(NCCCN(C)C)nc(NC(=O)Nc2ccccc2)n1.Cc1cc(NCCCO)nc(NC(=O)Nc2ccc(F)c(C)c2)n1.Cc1cc(NCCCO)nc(NC(=O)Nc2ccccc2)n1.Cc1ccc(NC(=O)Nc2nc(C)cc(NCCCN(C)C)n2)cc1
InChIInChI=1S/C19H27ClN6O2.C19H28N6O2.C18H25FN6O.C18H26N6O.C17H22ClN5O3.C17H24N6O.C16H20FN5O2.C15H19N5O2/c1-12-9-16(28-5)15(11-14(12)20)23-19(27)25-18-22-13(2)10-17(24-18)21-7-6-8-26(3)4;1-13-7-8-15(16(11-13)27-5)22-19(26)24-18-21-14(2)12-17(23-18)20-9-6-10-25(3)4;1-12-10-14(6-7-15(12)19)22-18(26)24-17-21-13(2)11-16(23-17)20-8-5-9-25(3)4;1-13-6-8-15(9-7-13)21-18(25)23-17-20-14(2)12-16(22-17)19-10-5-11-24(3)4;1-10-7-14(26-3)13(9-12(10)18)21-17(25)23-16-20-11(2)8-15(22-16)19-5-4-6-24;1-13-12-15(18-10-7-11-23(2)3)21-16(19-13)22-17(24)20-14-8-5-4-6-9-14;1-10-8-12(4-5-13(10)17)20-16(24)22-15-19-11(2)9-14(21-15)18-6-3-7-23;1-11-10-13(16-8-5-9-21)19-14(17-11)20-15(22)18-12-6-3-2-4-7-12/h9-11H,6-8H2,1-5H3,(H3,21,22,23,24,25,27);7-8,11-12H,6,9-10H2,1-5H3,(H3,20,21,22,23,24,26);6-7,10-11H,5,8-9H2,1-4H3,(H3,20,21,22,23,24,26);6-9,12H,5,10-11H2,1-4H3,(H3,19,20,21,22,23,25);7-9,24H,4-6H2,1-3H3,(H3,19,20,21,22,23,25);4-6,8-9,12H,7,10-11H2,1-3H3,(H3,18,19,20,21,22,24);4-5,8-9,23H,3,6-7H2,1-2H3,(H3,18,19,20,21,22,24);2-4,6-7,10,21H,5,8-9H2,1H3,(H3,16,17,18,19,20,22)
InChIKeyPDTAVTUYWTZUFT-UHFFFAOYSA-N
XLogP24.09
TPSA736.10 Ų
H-Bond Donors27
H-Bond Acceptors43
Rotatable Bonds56
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002825.26
LogP ≤ 524.09
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-fluoro-3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(2-methoxy-4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-phenylurea;1-(4-fluoro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]-3-phenylurea with MolForge

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Related Compounds

1-(3-Chloro-4-methylphenyl)-3-[4-cyclopropyl-6-[3-(dimethylamino)propylamino]pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-cyclopropyl-6-(hydroxyamino)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-cyclopropyl-6-[3-(methylamino)propylamino]pyrimidin-2-yl]urea;1-[4-cyclopropyl-6-[3-(dimethylamino)propylamino]pyrimidin-2-yl]-3-[4-(1,1-difluoroethoxy)phenyl]urea;1-[4-cyclopropyl-6-(hydroxyamino)pyrimidin-2-yl]-3-[4-(1,1-difluoroethoxy)phenyl]urea;1-[4-cyclopropyl-6-[3-(methylamino)propylamino]pyrimidin-2-yl]-3-[4-(1,1-difluoroethoxy)phenyl]urea;1-[4-(1,1-difluoroethoxy)phenyl]-3-[4-(hydroxyamino)-6-propan-2-ylpyrimidin-2-yl]urea;1-[4-(1,1-difluoroethoxy)phenyl]-3-[4-[3-(methylamino)propylamino]-6-propan-2-ylpyrimidin-2-yl]urea
CID 160817650
1-(4-Amino-6-propan-2-ylpyrimidin-2-yl)-3-[4-(1,1-difluoroethoxy)phenyl]urea;1-(4-amino-6-propan-2-ylpyrimidin-2-yl)-3-naphthalen-2-ylurea;1-(3-chloro-4-methylphenyl)-3-[4-(hydroxyamino)-6-propan-2-ylpyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(methylamino)propylamino]-6-propan-2-ylpyrimidin-2-yl]urea;1-[4-(1,1-difluoroethoxy)phenyl]-3-[4-[3-(dimethylamino)propylamino]-6-propan-2-ylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-propan-2-ylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(hydroxyamino)-6-propan-2-ylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(methylamino)propylamino]-6-propan-2-ylpyrimidin-2-yl]-3-naphthalen-2-ylurea
CID 161789984
1-(5-Chloro-2-methoxy-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-(4-fluoro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]-3-(3-methylphenyl)urea;bis(1-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea);1-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]-3-phenylurea
CID 157838339
1-(5-Chloro-2-methoxy-4-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea
CID 157838343
1-(4-Chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]imidazolidin-2-one;1-(4-chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]imidazolidin-2-one;1-(4-chloro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]imidazolidin-2-one;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(pyridin-4-ylamino)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-pyridin-3-yloxypyrimidin-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-fluoro-3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(2-methoxy-4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-phenylurea
CID 159521715
1-[4-[Butyl(methyl)amino]-6-methylpyrimidin-2-yl]-3-(4-chloro-3-methylphenyl)urea;bis(1-(4-chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea);1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-fluoro-3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(2-methoxy-4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-phenylurea
CID 164023700

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-fluoro-3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(2-methoxy-4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-phenylurea;1-(4-fluoro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]-3-phenylurea?
The IUPAC name of 1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-fluoro-3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(2-methoxy-4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-phenylurea;1-(4-fluoro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]-3-phenylurea (CID 163862445) is 1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-fluoro-3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(2-methoxy-4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-phenylurea;1-(4-fluoro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]-3-phenylurea.
What is the SMILES notation for 1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-fluoro-3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(2-methoxy-4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-phenylurea;1-(4-fluoro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]-3-phenylurea?
The canonical SMILES for 1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-fluoro-3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(2-methoxy-4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-phenylurea;1-(4-fluoro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]-3-phenylurea is COc1cc(C)c(Cl)cc1NC(=O)Nc1nc(C)cc(NCCCN(C)C)n1.COc1cc(C)c(Cl)cc1NC(=O)Nc1nc(C)cc(NCCCO)n1.COc1cc(C)ccc1NC(=O)Nc1nc(C)cc(NCCCN(C)C)n1.Cc1cc(NCCCN(C)C)nc(NC(=O)Nc2ccc(F)c(C)c2)n1.Cc1cc(NCCCN(C)C)nc(NC(=O)Nc2ccccc2)n1.Cc1cc(NCCCO)nc(NC(=O)Nc2ccc(F)c(C)c2)n1.Cc1cc(NCCCO)nc(NC(=O)Nc2ccccc2)n1.Cc1ccc(NC(=O)Nc2nc(C)cc(NCCCN(C)C)n2)cc1.
What is the InChIKey of 1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-fluoro-3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(2-methoxy-4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-phenylurea;1-(4-fluoro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]-3-phenylurea?
The InChIKey is PDTAVTUYWTZUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN6O2.C19H28N6O2.C18H25FN6O.C18H26N6O.C17H22ClN5O3.C17H24N6O.C16H20FN5O2.C15H19N5O2/c1-12-9-16(28-5)15(11-14(12)20)23-19(27)25-18-22-13(2)10-17(24-18)21-7-6-8-26(3)4;1-13-7-8-15(16(11-13)27-5)22-19(26)24-18-21-14(2)12-17(23-18)20-9-6-10-25(3)4;1-12-10-14(6-7-15(12)19)22-18(26)24-17-21-13(2)11-16(23-17)20-8-5-9-25(3)4;1-13-6-8-15(9-7-13)21-18(25)23-17-20-14(2)12-16(22-17)19-10-5-11-24(3)4;1-10-7-14(26-3)13(9-12(10)18)21-17(25)23-16-20-11(2)8-15(22-16)19-5-4-6-24;1-13-12-15(18-10-7-11-23(2)3)21-16(19-13)22-17(24)20-14-8-5-4-6-9-14;1-10-8-12(4-5-13(10)17)20-16(24)22-15-19-11(2)9-14(21-15)18-6-3-7-23;1-11-10-13(16-8-5-9-21)19-14(17-11)20-15(22)18-12-6-3-2-4-7-12/h9-11H,6-8H2,1-5H3,(H3,21,22,23,24,25,27);7-8,11-12H,6,9-10H2,1-5H3,(H3,20,21,22,23,24,26);6-7,10-11H,5,8-9H2,1-4H3,(H3,20,21,22,23,24,26);6-9,12H,5,10-11H2,1-4H3,(H3,19,20,21,22,23,25);7-9,24H,4-6H2,1-3H3,(H3,19,20,21,22,23,25);4-6,8-9,12H,7,10-11H2,1-3H3,(H3,18,19,20,21,22,24);4-5,8-9,23H,3,6-7H2,1-2H3,(H3,18,19,20,21,22,24);2-4,6-7,10,21H,5,8-9H2,1H3,(H3,16,17,18,19,20,22).
What are the key properties of 1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-fluoro-3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(2-methoxy-4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-phenylurea;1-(4-fluoro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]-3-phenylurea?
1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-fluoro-3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(2-methoxy-4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-phenylurea;1-(4-fluoro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]-3-phenylurea has a molecular weight of 2825.26 g/mol, XLogP of 24.09, 56 rotatable bonds, 27 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(5-chloro-2-methoxy-4-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-fluoro-3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(2-methoxy-4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-phenylurea;1-(4-fluoro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]-3-phenylurea is sourced from PubChem (CID 163862445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).