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

C148H134Cl4F24N42O12 — CID 161320483

IUPAC1-[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
SMILESCONc1cc(C(F)(F)F)nc(NC(=O)Nc2ccc3cc(Cl)c(C)cc3c2)n1.CONc1cc(C(F)(F)F)nc(NC(=O)Nc2ccc3ccc(C)cc3c2)n1.Cc1cc2cc(NC(=O)Nc3nc(N)cc(C(F)(F)F)n3)ccc2cc1Cl.Cc1cc2cc(NC(=O)Nc3nc(NCCCN(C)C)cc(C(F)(F)F)n3)ccc2cc1Cl.Cc1cc2cc(NC(=O)Nc3nc(NO)cc(C(F)(F)F)n3)ccc2cc1Cl.Cc1ccc2ccc(NC(=O)Nc3nc(N)cc(C(F)(F)F)n3)cc2c1.Cc1ccc2ccc(NC(=O)Nc3nc(NCCCN(C)C)cc(C(F)(F)F)n3)cc2c1.Cc1ccc2ccc(NC(=O)Nc3nc(NO)cc(C(F)(F)F)n3)cc2c1
InChIInChI=1S/C22H24ClF3N6O.C22H25F3N6O.C18H15ClF3N5O2.C18H16F3N5O2.C17H13ClF3N5O2.C17H13ClF3N5O.C17H14F3N5O2.C17H14F3N5O/c1-13-9-15-10-16(6-5-14(15)11-17(13)23)28-21(33)31-20-29-18(22(24,25)26)12-19(30-20)27-7-4-8-32(2)3;1-14-5-6-15-7-8-17(12-16(15)11-14)27-21(32)30-20-28-18(22(23,24)25)13-19(29-20)26-9-4-10-31(2)3;1-9-5-11-6-12(4-3-10(11)7-13(9)19)23-17(28)26-16-24-14(18(20,21)22)8-15(25-16)27-29-2;1-10-3-4-11-5-6-13(8-12(11)7-10)22-17(27)25-16-23-14(18(19,20)21)9-15(24-16)26-28-2;1-8-4-10-5-11(3-2-9(10)6-12(8)18)22-16(27)25-15-23-13(17(19,20)21)7-14(24-15)26-28;1-8-4-10-5-11(3-2-9(10)6-12(8)18)23-16(27)26-15-24-13(17(19,20)21)7-14(22)25-15;1-9-2-3-10-4-5-12(7-11(10)6-9)21-16(26)24-15-22-13(17(18,19)20)8-14(23-15)25-27;1-9-2-3-10-4-5-12(7-11(10)6-9)22-16(26)25-15-23-13(17(18,19)20)8-14(21)24-15/h5-6,9-12H,4,7-8H2,1-3H3,(H3,27,28,29,30,31,33);5-8,11-13H,4,9-10H2,1-3H3,(H3,26,27,28,29,30,32);3-8H,1-2H3,(H3,23,24,25,26,27,28);3-9H,1-2H3,(H3,22,23,24,25,26,27);2-7,28H,1H3,(H3,22,23,24,25,26,27);2-7H,1H3,(H4,22,23,24,25,26,27);2-8,27H,1H3,(H3,21,22,23,24,25,26);2-8H,1H3,(H4,21,22,23,24,25,26)
InChIKeyVKBOWNUDKALDKI-UHFFFAOYSA-N
MW3290.75 g/mol
LogP38.86
Rot. Bonds32

About 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

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 (PubChem CID 161320483) has the molecular formula C148H134Cl4F24N42O12 and a molecular weight of 3290.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID161320483
Molecular FormulaC148H134Cl4F24N42O12
Molecular Weight3290.75 g/mol
Exact Mass3286.95
IUPAC Name1-[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
SMILESCONc1cc(C(F)(F)F)nc(NC(=O)Nc2ccc3cc(Cl)c(C)cc3c2)n1.CONc1cc(C(F)(F)F)nc(NC(=O)Nc2ccc3ccc(C)cc3c2)n1.Cc1cc2cc(NC(=O)Nc3nc(N)cc(C(F)(F)F)n3)ccc2cc1Cl.Cc1cc2cc(NC(=O)Nc3nc(NCCCN(C)C)cc(C(F)(F)F)n3)ccc2cc1Cl.Cc1cc2cc(NC(=O)Nc3nc(NO)cc(C(F)(F)F)n3)ccc2cc1Cl.Cc1ccc2ccc(NC(=O)Nc3nc(N)cc(C(F)(F)F)n3)cc2c1.Cc1ccc2ccc(NC(=O)Nc3nc(NCCCN(C)C)cc(C(F)(F)F)n3)cc2c1.Cc1ccc2ccc(NC(=O)Nc3nc(NO)cc(C(F)(F)F)n3)cc2c1
InChIInChI=1S/C22H24ClF3N6O.C22H25F3N6O.C18H15ClF3N5O2.C18H16F3N5O2.C17H13ClF3N5O2.C17H13ClF3N5O.C17H14F3N5O2.C17H14F3N5O/c1-13-9-15-10-16(6-5-14(15)11-17(13)23)28-21(33)31-20-29-18(22(24,25)26)12-19(30-20)27-7-4-8-32(2)3;1-14-5-6-15-7-8-17(12-16(15)11-14)27-21(32)30-20-28-18(22(23,24)25)13-19(29-20)26-9-4-10-31(2)3;1-9-5-11-6-12(4-3-10(11)7-13(9)19)23-17(28)26-16-24-14(18(20,21)22)8-15(25-16)27-29-2;1-10-3-4-11-5-6-13(8-12(11)7-10)22-17(27)25-16-23-14(18(19,20)21)9-15(24-16)26-28-2;1-8-4-10-5-11(3-2-9(10)6-12(8)18)22-16(27)25-15-23-13(17(19,20)21)7-14(24-15)26-28;1-8-4-10-5-11(3-2-9(10)6-12(8)18)23-16(27)26-15-24-13(17(19,20)21)7-14(22)25-15;1-9-2-3-10-4-5-12(7-11(10)6-9)21-16(26)24-15-22-13(17(18,19)20)8-14(23-15)25-27;1-9-2-3-10-4-5-12(7-11(10)6-9)22-16(26)25-15-23-13(17(18,19)20)8-14(21)24-15/h5-6,9-12H,4,7-8H2,1-3H3,(H3,27,28,29,30,31,33);5-8,11-13H,4,9-10H2,1-3H3,(H3,26,27,28,29,30,32);3-8H,1-2H3,(H3,23,24,25,26,27,28);3-9H,1-2H3,(H3,22,23,24,25,26,27);2-7,28H,1H3,(H3,22,23,24,25,26,27);2-7H,1H3,(H4,22,23,24,25,26,27);2-8,27H,1H3,(H3,21,22,23,24,25,26);2-8H,1H3,(H4,21,22,23,24,25,26)
InChIKeyVKBOWNUDKALDKI-UHFFFAOYSA-N
XLogP38.86
TPSA724.90 Ų
H-Bond Donors26
H-Bond Acceptors38
Rotatable Bonds32
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003290.75
LogP ≤ 538.86
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-(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 with MolForge

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Related Compounds

1-[4-Amino-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-amino-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea
CID 157183505
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
N-[7-chloro-2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[7-chloro-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 160518820
1-(6-Chloro-7-methylnaphthalen-2-yl)-3-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]urea
CID 161320491
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
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
1-(4-Amino-6-methylpyrimidin-2-yl)-3-(6-methylnaphthalen-2-yl)urea;1-(4-amino-6-methylpyrimidin-2-yl)-3-(7-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea
CID 157970749
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CONc1cc(C(F)(F)F)nc(NC(=O)Nc2ccc3cc(Cl)c(C)cc3c2)n1.CONc1cc(C(F)(F)F)nc(NC(=O)Nc2ccc3ccc(C)cc3c2)n1.Cc1cc2cc(NC(=O)Nc3nc(N)cc(C(F)(F)F)n3)ccc2cc1Cl.Cc1cc2cc(NC(=O)Nc3nc(NCCCN(C)C)cc(C(F)(F)F)n3)ccc2cc1Cl.Cc1cc2cc(NC(=O)Nc3nc(NO)cc(C(F)(F)F)n3)ccc2cc1Cl.Cc1ccc2ccc(NC(=O)Nc3nc(N)cc(C(F)(F)F)n3)cc2c1.Cc1ccc2ccc(NC(=O)Nc3nc(NCCCN(C)C)cc(C(F)(F)F)n3)cc2c1.Cc1ccc2ccc(NC(=O)Nc3nc(NO)cc(C(F)(F)F)n3)cc2c1.
What is the InChIKey of 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?
The InChIKey is VKBOWNUDKALDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF3N6O.C22H25F3N6O.C18H15ClF3N5O2.C18H16F3N5O2.C17H13ClF3N5O2.C17H13ClF3N5O.C17H14F3N5O2.C17H14F3N5O/c1-13-9-15-10-16(6-5-14(15)11-17(13)23)28-21(33)31-20-29-18(22(24,25)26)12-19(30-20)27-7-4-8-32(2)3;1-14-5-6-15-7-8-17(12-16(15)11-14)27-21(32)30-20-28-18(22(23,24)25)13-19(29-20)26-9-4-10-31(2)3;1-9-5-11-6-12(4-3-10(11)7-13(9)19)23-17(28)26-16-24-14(18(20,21)22)8-15(25-16)27-29-2;1-10-3-4-11-5-6-13(8-12(11)7-10)22-17(27)25-16-23-14(18(19,20)21)9-15(24-16)26-28-2;1-8-4-10-5-11(3-2-9(10)6-12(8)18)22-16(27)25-15-23-13(17(19,20)21)7-14(24-15)26-28;1-8-4-10-5-11(3-2-9(10)6-12(8)18)23-16(27)26-15-24-13(17(19,20)21)7-14(22)25-15;1-9-2-3-10-4-5-12(7-11(10)6-9)21-16(26)24-15-22-13(17(18,19)20)8-14(23-15)25-27;1-9-2-3-10-4-5-12(7-11(10)6-9)22-16(26)25-15-23-13(17(18,19)20)8-14(21)24-15/h5-6,9-12H,4,7-8H2,1-3H3,(H3,27,28,29,30,31,33);5-8,11-13H,4,9-10H2,1-3H3,(H3,26,27,28,29,30,32);3-8H,1-2H3,(H3,23,24,25,26,27,28);3-9H,1-2H3,(H3,22,23,24,25,26,27);2-7,28H,1H3,(H3,22,23,24,25,26,27);2-7H,1H3,(H4,22,23,24,25,26,27);2-8,27H,1H3,(H3,21,22,23,24,25,26);2-8H,1H3,(H4,21,22,23,24,25,26).
What are the key properties of 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?
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 has a molecular weight of 3290.75 g/mol, XLogP of 38.86, 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-(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 is sourced from PubChem (CID 161320483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).