1-[4-amino-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea

C107H100F20N38O8 — CID 159020278

IUPAC1-[4-amino-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea
SMILESCONc1cc(C(F)(F)F)nc(NC(=O)Nc2ccc3cnc(C)cc3c2)n1.Cc1cc2cc(NC(=O)Nc3nc(N)c(F)c(C(F)(F)F)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(N)cc(C(F)(F)F)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(NCCCN(C)C)c(F)c(C(F)(F)F)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(NCCCN(C)C)cc(C(F)(F)F)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(NO)cc(C(F)(F)F)n3)ccc2cn1
InChIInChI=1S/C21H23F4N7O.C21H24F3N7O.C17H15F3N6O2.C16H12F4N6O.C16H13F3N6O2.C16H13F3N6O/c1-12-9-14-10-15(6-5-13(14)11-27-12)28-20(33)31-19-29-17(21(23,24)25)16(22)18(30-19)26-7-4-8-32(2)3;1-13-9-15-10-16(6-5-14(15)12-26-13)27-20(32)30-19-28-17(21(22,23)24)11-18(29-19)25-7-4-8-31(2)3;1-9-5-11-6-12(4-3-10(11)8-21-9)22-16(27)25-15-23-13(17(18,19)20)7-14(24-15)26-28-2;1-7-4-9-5-10(3-2-8(9)6-22-7)23-15(27)26-14-24-12(16(18,19)20)11(17)13(21)25-14;1-8-4-10-5-11(3-2-9(10)7-20-8)21-15(26)24-14-22-12(16(17,18)19)6-13(23-14)25-27;1-8-4-10-5-11(3-2-9(10)7-21-8)22-15(26)25-14-23-12(16(17,18)19)6-13(20)24-14/h5-6,9-11H,4,7-8H2,1-3H3,(H3,26,28,29,30,31,33);5-6,9-12H,4,7-8H2,1-3H3,(H3,25,27,28,29,30,32);3-8H,1-2H3,(H3,22,23,24,25,26,27);2-6H,1H3,(H4,21,23,24,25,26,27);2-7,27H,1H3,(H3,21,22,23,24,25,26);2-7H,1H3,(H4,20,22,23,24,25,26)
InChIKeyJTPIWTFRUAYIRA-UHFFFAOYSA-N
MW2426.19 g/mol
LogP23.92
Rot. Bonds25

About 1-[4-amino-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea

1-[4-amino-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea (PubChem CID 159020278) has the molecular formula C107H100F20N38O8 and a molecular weight of 2426.19 g/mol. Its IUPAC name is 1-[4-amino-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea.

Molecular Properties

Compound Name1-[4-amino-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea
PubChem CID159020278
Molecular FormulaC107H100F20N38O8
Molecular Weight2426.19 g/mol
Exact Mass2424.83
IUPAC Name1-[4-amino-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea
SMILESCONc1cc(C(F)(F)F)nc(NC(=O)Nc2ccc3cnc(C)cc3c2)n1.Cc1cc2cc(NC(=O)Nc3nc(N)c(F)c(C(F)(F)F)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(N)cc(C(F)(F)F)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(NCCCN(C)C)c(F)c(C(F)(F)F)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(NCCCN(C)C)cc(C(F)(F)F)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(NO)cc(C(F)(F)F)n3)ccc2cn1
InChIInChI=1S/C21H23F4N7O.C21H24F3N7O.C17H15F3N6O2.C16H12F4N6O.C16H13F3N6O2.C16H13F3N6O/c1-12-9-14-10-15(6-5-13(14)11-27-12)28-20(33)31-19-29-17(21(23,24)25)16(22)18(30-19)26-7-4-8-32(2)3;1-13-9-15-10-16(6-5-14(15)12-26-13)27-20(32)30-19-28-17(21(22,23)24)11-18(29-19)25-7-4-8-31(2)3;1-9-5-11-6-12(4-3-10(11)8-21-9)22-16(27)25-15-23-13(17(18,19)20)7-14(24-15)26-28-2;1-7-4-9-5-10(3-2-8(9)6-22-7)23-15(27)26-14-24-12(16(18,19)20)11(17)13(21)25-14;1-8-4-10-5-11(3-2-9(10)7-20-8)21-15(26)24-14-22-12(16(17,18)19)6-13(23-14)25-27;1-8-4-10-5-11(3-2-9(10)7-21-8)22-15(26)25-14-23-12(16(17,18)19)6-13(20)24-14/h5-6,9-11H,4,7-8H2,1-3H3,(H3,26,28,29,30,31,33);5-6,9-12H,4,7-8H2,1-3H3,(H3,25,27,28,29,30,32);3-8H,1-2H3,(H3,22,23,24,25,26,27);2-6H,1H3,(H4,21,23,24,25,26,27);2-7,27H,1H3,(H3,21,22,23,24,25,26);2-7H,1H3,(H4,20,22,23,24,25,26)
InChIKeyJTPIWTFRUAYIRA-UHFFFAOYSA-N
XLogP23.92
TPSA614.90 Ų
H-Bond Donors19
H-Bond Acceptors34
Rotatable Bonds25
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002426.19
LogP ≤ 523.92
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1034

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-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea with MolForge

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Related Compounds

1-(3,4-dichlorophenyl)-3-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]urea
CID 155451223
1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea
CID 159714745
1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 155451221
1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]urea
CID 159714746
1-(3-chloroisoquinolin-6-yl)-3-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]urea
CID 155451217
1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(3-methoxyphenyl)urea
CID 122507226
1-[4-[3-(dimethylamino)propylamino]pyrimidin-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 134284696
1-[4-[3-(dimethylamino)propylamino]-6-propan-2-ylpyrimidin-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 134297558
1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 155451100
tert-butyl N-methyl-N-[3-[[6-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrimidin-4-yl]amino]propyl]carbamate
CID 122507335
1-isoquinolin-6-yl-3-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]urea
CID 157343198
1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(3-methylphenyl)urea
CID 158693336

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea?
The IUPAC name of 1-[4-amino-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea (CID 159020278) is 1-[4-amino-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea.
What is the SMILES notation for 1-[4-amino-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea?
The canonical SMILES for 1-[4-amino-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea is CONc1cc(C(F)(F)F)nc(NC(=O)Nc2ccc3cnc(C)cc3c2)n1.Cc1cc2cc(NC(=O)Nc3nc(N)c(F)c(C(F)(F)F)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(N)cc(C(F)(F)F)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(NCCCN(C)C)c(F)c(C(F)(F)F)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(NCCCN(C)C)cc(C(F)(F)F)n3)ccc2cn1.Cc1cc2cc(NC(=O)Nc3nc(NO)cc(C(F)(F)F)n3)ccc2cn1.
What is the InChIKey of 1-[4-amino-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea?
The InChIKey is JTPIWTFRUAYIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F4N7O.C21H24F3N7O.C17H15F3N6O2.C16H12F4N6O.C16H13F3N6O2.C16H13F3N6O/c1-12-9-14-10-15(6-5-13(14)11-27-12)28-20(33)31-19-29-17(21(23,24)25)16(22)18(30-19)26-7-4-8-32(2)3;1-13-9-15-10-16(6-5-14(15)12-26-13)27-20(32)30-19-28-17(21(22,23)24)11-18(29-19)25-7-4-8-31(2)3;1-9-5-11-6-12(4-3-10(11)8-21-9)22-16(27)25-15-23-13(17(18,19)20)7-14(24-15)26-28-2;1-7-4-9-5-10(3-2-8(9)6-22-7)23-15(27)26-14-24-12(16(18,19)20)11(17)13(21)25-14;1-8-4-10-5-11(3-2-9(10)7-20-8)21-15(26)24-14-22-12(16(17,18)19)6-13(23-14)25-27;1-8-4-10-5-11(3-2-9(10)7-21-8)22-15(26)25-14-23-12(16(17,18)19)6-13(20)24-14/h5-6,9-11H,4,7-8H2,1-3H3,(H3,26,28,29,30,31,33);5-6,9-12H,4,7-8H2,1-3H3,(H3,25,27,28,29,30,32);3-8H,1-2H3,(H3,22,23,24,25,26,27);2-6H,1H3,(H4,21,23,24,25,26,27);2-7,27H,1H3,(H3,21,22,23,24,25,26);2-7H,1H3,(H4,20,22,23,24,25,26).
What are the key properties of 1-[4-amino-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea?
1-[4-amino-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea has a molecular weight of 2426.19 g/mol, XLogP of 23.92, 25 rotatable bonds, 19 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea is sourced from PubChem (CID 159020278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).