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

C148H150Cl4F8N42O12 — CID 159678854

IUPAC1-(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
SMILESCONc1nc(NC(=O)Nc2ccc3cc(Cl)c(C)cc3c2)nc(C)c1F.CONc1nc(NC(=O)Nc2ccc3ccc(C)cc3c2)nc(C)c1F.Cc1cc2cc(NC(=O)Nc3nc(C)c(F)c(N)n3)ccc2cc1Cl.Cc1cc2cc(NC(=O)Nc3nc(C)c(F)c(NCCCN(C)C)n3)ccc2cc1Cl.Cc1cc2cc(NC(=O)Nc3nc(C)c(F)c(NO)n3)ccc2cc1Cl.Cc1ccc2ccc(NC(=O)Nc3nc(C)c(F)c(N)n3)cc2c1.Cc1ccc2ccc(NC(=O)Nc3nc(C)c(F)c(NCCCN(C)C)n3)cc2c1.Cc1ccc2ccc(NC(=O)Nc3nc(C)c(F)c(NO)n3)cc2c1
InChIInChI=1S/C22H26ClFN6O.C22H27FN6O.C18H17ClFN5O2.C18H18FN5O2.C17H15ClFN5O2.C17H15ClFN5O.C17H16FN5O2.C17H16FN5O/c1-13-10-16-11-17(7-6-15(16)12-18(13)23)27-22(31)29-21-26-14(2)19(24)20(28-21)25-8-5-9-30(3)4;1-14-6-7-16-8-9-18(13-17(16)12-14)26-22(30)28-21-25-15(2)19(23)20(27-21)24-10-5-11-29(3)4;1-9-6-12-7-13(5-4-11(12)8-14(9)19)22-18(26)24-17-21-10(2)15(20)16(23-17)25-27-3;1-10-4-5-12-6-7-14(9-13(12)8-10)21-18(25)23-17-20-11(2)15(19)16(22-17)24-26-3;1-8-5-11-6-12(4-3-10(11)7-13(8)18)21-17(25)23-16-20-9(2)14(19)15(22-16)24-26;1-8-5-11-6-12(4-3-10(11)7-13(8)18)22-17(25)24-16-21-9(2)14(19)15(20)23-16;1-9-3-4-11-5-6-13(8-12(11)7-9)20-17(24)22-16-19-10(2)14(18)15(21-16)23-25;1-9-3-4-11-5-6-13(8-12(11)7-9)21-17(24)23-16-20-10(2)14(18)15(19)22-16/h6-7,10-12H,5,8-9H2,1-4H3,(H3,25,26,27,28,29,31);6-9,12-13H,5,10-11H2,1-4H3,(H3,24,25,26,27,28,30);4-8H,1-3H3,(H3,21,22,23,24,25,26);4-9H,1-3H3,(H3,20,21,22,23,24,25);3-7,26H,1-2H3,(H3,20,21,22,23,24,25);3-7H,1-2H3,(H4,20,21,22,23,24,25);3-8,25H,1-2H3,(H3,19,20,21,22,23,24);3-8H,1-2H3,(H4,19,20,21,22,23,24)
InChIKeyMUYNRRIIYMRJSX-UHFFFAOYSA-N
MW3002.91 g/mol
LogP34.29
Rot. Bonds32

About 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

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 (PubChem CID 159678854) has the molecular formula C148H150Cl4F8N42O12 and a molecular weight of 3002.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID159678854
Molecular FormulaC148H150Cl4F8N42O12
Molecular Weight3002.91 g/mol
Exact Mass2999.10
IUPAC Name1-(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
SMILESCONc1nc(NC(=O)Nc2ccc3cc(Cl)c(C)cc3c2)nc(C)c1F.CONc1nc(NC(=O)Nc2ccc3ccc(C)cc3c2)nc(C)c1F.Cc1cc2cc(NC(=O)Nc3nc(C)c(F)c(N)n3)ccc2cc1Cl.Cc1cc2cc(NC(=O)Nc3nc(C)c(F)c(NCCCN(C)C)n3)ccc2cc1Cl.Cc1cc2cc(NC(=O)Nc3nc(C)c(F)c(NO)n3)ccc2cc1Cl.Cc1ccc2ccc(NC(=O)Nc3nc(C)c(F)c(N)n3)cc2c1.Cc1ccc2ccc(NC(=O)Nc3nc(C)c(F)c(NCCCN(C)C)n3)cc2c1.Cc1ccc2ccc(NC(=O)Nc3nc(C)c(F)c(NO)n3)cc2c1
InChIInChI=1S/C22H26ClFN6O.C22H27FN6O.C18H17ClFN5O2.C18H18FN5O2.C17H15ClFN5O2.C17H15ClFN5O.C17H16FN5O2.C17H16FN5O/c1-13-10-16-11-17(7-6-15(16)12-18(13)23)27-22(31)29-21-26-14(2)19(24)20(28-21)25-8-5-9-30(3)4;1-14-6-7-16-8-9-18(13-17(16)12-14)26-22(30)28-21-25-15(2)19(23)20(27-21)24-10-5-11-29(3)4;1-9-6-12-7-13(5-4-11(12)8-14(9)19)22-18(26)24-17-21-10(2)15(20)16(23-17)25-27-3;1-10-4-5-12-6-7-14(9-13(12)8-10)21-18(25)23-17-20-11(2)15(19)16(22-17)24-26-3;1-8-5-11-6-12(4-3-10(11)7-13(8)18)21-17(25)23-16-20-9(2)14(19)15(22-16)24-26;1-8-5-11-6-12(4-3-10(11)7-13(8)18)22-17(25)24-16-21-9(2)14(19)15(20)23-16;1-9-3-4-11-5-6-13(8-12(11)7-9)20-17(24)22-16-19-10(2)14(18)15(21-16)23-25;1-9-3-4-11-5-6-13(8-12(11)7-9)21-17(24)23-16-20-10(2)14(18)15(19)22-16/h6-7,10-12H,5,8-9H2,1-4H3,(H3,25,26,27,28,29,31);6-9,12-13H,5,10-11H2,1-4H3,(H3,24,25,26,27,28,30);4-8H,1-3H3,(H3,21,22,23,24,25,26);4-9H,1-3H3,(H3,20,21,22,23,24,25);3-7,26H,1-2H3,(H3,20,21,22,23,24,25);3-7H,1-2H3,(H4,20,21,22,23,24,25);3-8,25H,1-2H3,(H3,19,20,21,22,23,24);3-8H,1-2H3,(H4,19,20,21,22,23,24)
InChIKeyMUYNRRIIYMRJSX-UHFFFAOYSA-N
XLogP34.29
TPSA724.90 Ų
H-Bond Donors26
H-Bond Acceptors38
Rotatable Bonds32
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003002.91
LogP ≤ 534.29
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-(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 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-(6-Chloro-7-methylnaphthalen-2-yl)-3-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]urea
CID 159678862
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
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-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
4-(3-Chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;4-(4-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-fluoro-4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
CID 173138019

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CONc1nc(NC(=O)Nc2ccc3cc(Cl)c(C)cc3c2)nc(C)c1F.CONc1nc(NC(=O)Nc2ccc3ccc(C)cc3c2)nc(C)c1F.Cc1cc2cc(NC(=O)Nc3nc(C)c(F)c(N)n3)ccc2cc1Cl.Cc1cc2cc(NC(=O)Nc3nc(C)c(F)c(NCCCN(C)C)n3)ccc2cc1Cl.Cc1cc2cc(NC(=O)Nc3nc(C)c(F)c(NO)n3)ccc2cc1Cl.Cc1ccc2ccc(NC(=O)Nc3nc(C)c(F)c(N)n3)cc2c1.Cc1ccc2ccc(NC(=O)Nc3nc(C)c(F)c(NCCCN(C)C)n3)cc2c1.Cc1ccc2ccc(NC(=O)Nc3nc(C)c(F)c(NO)n3)cc2c1.
What is the InChIKey of 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?
The InChIKey is MUYNRRIIYMRJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN6O.C22H27FN6O.C18H17ClFN5O2.C18H18FN5O2.C17H15ClFN5O2.C17H15ClFN5O.C17H16FN5O2.C17H16FN5O/c1-13-10-16-11-17(7-6-15(16)12-18(13)23)27-22(31)29-21-26-14(2)19(24)20(28-21)25-8-5-9-30(3)4;1-14-6-7-16-8-9-18(13-17(16)12-14)26-22(30)28-21-25-15(2)19(23)20(27-21)24-10-5-11-29(3)4;1-9-6-12-7-13(5-4-11(12)8-14(9)19)22-18(26)24-17-21-10(2)15(20)16(23-17)25-27-3;1-10-4-5-12-6-7-14(9-13(12)8-10)21-18(25)23-17-20-11(2)15(19)16(22-17)24-26-3;1-8-5-11-6-12(4-3-10(11)7-13(8)18)21-17(25)23-16-20-9(2)14(19)15(22-16)24-26;1-8-5-11-6-12(4-3-10(11)7-13(8)18)22-17(25)24-16-21-9(2)14(19)15(20)23-16;1-9-3-4-11-5-6-13(8-12(11)7-9)20-17(24)22-16-19-10(2)14(18)15(21-16)23-25;1-9-3-4-11-5-6-13(8-12(11)7-9)21-17(24)23-16-20-10(2)14(18)15(19)22-16/h6-7,10-12H,5,8-9H2,1-4H3,(H3,25,26,27,28,29,31);6-9,12-13H,5,10-11H2,1-4H3,(H3,24,25,26,27,28,30);4-8H,1-3H3,(H3,21,22,23,24,25,26);4-9H,1-3H3,(H3,20,21,22,23,24,25);3-7,26H,1-2H3,(H3,20,21,22,23,24,25);3-7H,1-2H3,(H4,20,21,22,23,24,25);3-8,25H,1-2H3,(H3,19,20,21,22,23,24);3-8H,1-2H3,(H4,19,20,21,22,23,24).
What are the key properties of 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?
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 has a molecular weight of 3002.91 g/mol, XLogP of 34.29, 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-(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 is sourced from PubChem (CID 159678854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).