4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;3-amino-2-phenyl-7H-thieno[2,3-b]pyridin-4-one;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)acetamide;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)methanesulfonamide;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;4-amino-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;2,4-diphenylthieno[2,3-b]pyridin-3-amine;4-methoxy-2-phenylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-piperidin-1-ylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-pyrrolidin-1-ylthieno[2,3-b]pyridin-3-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-pyrrolidin-1-ylpyrimidin-4-amine;6-pyrrolidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine

C206H212F9N57O11S11 — CID 161346951

IUPAC4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;3-amino-2-phenyl-7H-thieno[2,3-b]pyridin-4-one;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)acetamide;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)methanesulfonamide;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;4-amino-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;2,4-diphenylthieno[2,3-b]pyridin-3-amine;4-methoxy-2-phenylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-piperidin-1-ylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-pyrrolidin-1-ylthieno[2,3-b]pyridin-3-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-pyrrolidin-1-ylpyrimidin-4-amine;6-pyrrolidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine
SMILESCC(=O)Nc1ccnc2sc(-c3ccccc3)c(N)c12.COc1ccnc2sc(-c3ccccc3)c(N)c12.CS(=O)(=O)Nc1ccnc2sc(-c3ccccc3)c(N)c12.N#Cc1c(N)ncnc1N1CCCC1.N#Cc1c(N)ncnc1N1CCCCC1.N#Cc1c(N)ncnc1N1CCCc2ccccc21.Nc1c(-c2ccccc2)sc2[nH]ccc(=O)c12.Nc1c(-c2ccccc2)sc2nccc(-c3ccccc3)c12.Nc1c(-c2ccccc2)sc2nccc(N3CCCC3)c12.Nc1c(-c2ccccc2)sc2nccc(N3CCCCC3)c12.Nc1cc(N2CCCC2)ncn1.Nc1cc(N2CCCCC2)ncn1.Nc1cc(N2CCCc3ccccc32)ncn1.Nc1ncnc(N2CCCC2)c1S(=O)(=O)C(F)(F)F.Nc1ncnc(N2CCCCC2)c1S(=O)(=O)C(F)(F)F.Nc1ncnc(N2CCCc3ccccc32)c1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C19H14N2S.C18H19N3S.C17H17N3S.C15H13N3OS.C14H13F3N4O2S.C14H13N5.C14H13N3O2S2.C14H12N2OS.C13H14N4.C13H10N2OS.C10H13F3N4O2S.C10H13N5.C9H11F3N4O2S.C9H11N5.C9H14N4.C8H12N4/c20-17-16-15(13-7-3-1-4-8-13)11-12-21-19(16)22-18(17)14-9-5-2-6-10-14;19-16-15-14(21-11-5-2-6-12-21)9-10-20-18(15)22-17(16)13-7-3-1-4-8-13;18-15-14-13(20-10-4-5-11-20)8-9-19-17(14)21-16(15)12-6-2-1-3-7-12;1-9(19)18-11-7-8-17-15-12(11)13(16)14(20-15)10-5-3-2-4-6-10;15-14(16,17)24(22,23)11-12(18)19-8-20-13(11)21-7-3-5-9-4-1-2-6-10(9)21;15-8-11-13(16)17-9-18-14(11)19-7-3-5-10-4-1-2-6-12(10)19;1-21(18,19)17-10-7-8-16-14-11(10)12(15)13(20-14)9-5-3-2-4-6-9;1-17-10-7-8-16-14-11(10)12(15)13(18-14)9-5-3-2-4-6-9;14-12-8-13(16-9-15-12)17-7-3-5-10-4-1-2-6-11(10)17;14-11-10-9(16)6-7-15-13(10)17-12(11)8-4-2-1-3-5-8;11-10(12,13)20(18,19)7-8(14)15-6-16-9(7)17-4-2-1-3-5-17;11-6-8-9(12)13-7-14-10(8)15-4-2-1-3-5-15;10-9(11,12)19(17,18)6-7(13)14-5-15-8(6)16-3-1-2-4-16;10-5-7-8(11)12-6-13-9(7)14-3-1-2-4-14;10-8-6-9(12-7-11-8)13-4-2-1-3-5-13;9-7-5-8(11-6-10-7)12-3-1-2-4-12/h1-12H,20H2;1,3-4,7-10H,2,5-6,11-12,19H2;1-3,6-9H,4-5,10-11,18H2;2-8H,16H2,1H3,(H,17,18,19);1-2,4,6,8H,3,5,7H2,(H2,18,19,20);1-2,4,6,9H,3,5,7H2,(H2,16,17,18);2-8H,15H2,1H3,(H,16,17);2-8H,15H2,1H3;1-2,4,6,8-9H,3,5,7H2,(H2,14,15,16);1-7H,14H2,(H,15,16);6H,1-5H2,(H2,14,15,16);7H,1-5H2,(H2,12,13,14);5H,1-4H2,(H2,13,14,15);6H,1-4H2,(H2,11,12,13);6-7H,1-5H2,(H2,10,11,12);5-6H,1-4H2,(H2,9,10,11)
InChIKeyVNKWMVPEHJMUCB-UHFFFAOYSA-N
MW4186.07 g/mol
LogP38.76
Rot. Bonds26

About 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;3-amino-2-phenyl-7H-thieno[2,3-b]pyridin-4-one;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)acetamide;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)methanesulfonamide;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;4-amino-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;2,4-diphenylthieno[2,3-b]pyridin-3-amine;4-methoxy-2-phenylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-piperidin-1-ylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-pyrrolidin-1-ylthieno[2,3-b]pyridin-3-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-pyrrolidin-1-ylpyrimidin-4-amine;6-pyrrolidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine

4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;3-amino-2-phenyl-7H-thieno[2,3-b]pyridin-4-one;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)acetamide;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)methanesulfonamide;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;4-amino-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;2,4-diphenylthieno[2,3-b]pyridin-3-amine;4-methoxy-2-phenylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-piperidin-1-ylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-pyrrolidin-1-ylthieno[2,3-b]pyridin-3-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-pyrrolidin-1-ylpyrimidin-4-amine;6-pyrrolidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine (PubChem CID 161346951) has the molecular formula C206H212F9N57O11S11 and a molecular weight of 4186.07 g/mol. Its IUPAC name is 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;3-amino-2-phenyl-7H-thieno[2,3-b]pyridin-4-one;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)acetamide;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)methanesulfonamide;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;4-amino-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;2,4-diphenylthieno[2,3-b]pyridin-3-amine;4-methoxy-2-phenylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-piperidin-1-ylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-pyrrolidin-1-ylthieno[2,3-b]pyridin-3-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-pyrrolidin-1-ylpyrimidin-4-amine;6-pyrrolidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine.

Molecular Properties

Compound Name4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;3-amino-2-phenyl-7H-thieno[2,3-b]pyridin-4-one;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)acetamide;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)methanesulfonamide;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;4-amino-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;2,4-diphenylthieno[2,3-b]pyridin-3-amine;4-methoxy-2-phenylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-piperidin-1-ylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-pyrrolidin-1-ylthieno[2,3-b]pyridin-3-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-pyrrolidin-1-ylpyrimidin-4-amine;6-pyrrolidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine
PubChem CID161346951
Molecular FormulaC206H212F9N57O11S11
Molecular Weight4186.07 g/mol
Exact Mass4182.46
IUPAC Name4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;3-amino-2-phenyl-7H-thieno[2,3-b]pyridin-4-one;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)acetamide;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)methanesulfonamide;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;4-amino-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;2,4-diphenylthieno[2,3-b]pyridin-3-amine;4-methoxy-2-phenylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-piperidin-1-ylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-pyrrolidin-1-ylthieno[2,3-b]pyridin-3-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-pyrrolidin-1-ylpyrimidin-4-amine;6-pyrrolidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine
SMILESCC(=O)Nc1ccnc2sc(-c3ccccc3)c(N)c12.COc1ccnc2sc(-c3ccccc3)c(N)c12.CS(=O)(=O)Nc1ccnc2sc(-c3ccccc3)c(N)c12.N#Cc1c(N)ncnc1N1CCCC1.N#Cc1c(N)ncnc1N1CCCCC1.N#Cc1c(N)ncnc1N1CCCc2ccccc21.Nc1c(-c2ccccc2)sc2[nH]ccc(=O)c12.Nc1c(-c2ccccc2)sc2nccc(-c3ccccc3)c12.Nc1c(-c2ccccc2)sc2nccc(N3CCCC3)c12.Nc1c(-c2ccccc2)sc2nccc(N3CCCCC3)c12.Nc1cc(N2CCCC2)ncn1.Nc1cc(N2CCCCC2)ncn1.Nc1cc(N2CCCc3ccccc32)ncn1.Nc1ncnc(N2CCCC2)c1S(=O)(=O)C(F)(F)F.Nc1ncnc(N2CCCCC2)c1S(=O)(=O)C(F)(F)F.Nc1ncnc(N2CCCc3ccccc32)c1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C19H14N2S.C18H19N3S.C17H17N3S.C15H13N3OS.C14H13F3N4O2S.C14H13N5.C14H13N3O2S2.C14H12N2OS.C13H14N4.C13H10N2OS.C10H13F3N4O2S.C10H13N5.C9H11F3N4O2S.C9H11N5.C9H14N4.C8H12N4/c20-17-16-15(13-7-3-1-4-8-13)11-12-21-19(16)22-18(17)14-9-5-2-6-10-14;19-16-15-14(21-11-5-2-6-12-21)9-10-20-18(15)22-17(16)13-7-3-1-4-8-13;18-15-14-13(20-10-4-5-11-20)8-9-19-17(14)21-16(15)12-6-2-1-3-7-12;1-9(19)18-11-7-8-17-15-12(11)13(16)14(20-15)10-5-3-2-4-6-10;15-14(16,17)24(22,23)11-12(18)19-8-20-13(11)21-7-3-5-9-4-1-2-6-10(9)21;15-8-11-13(16)17-9-18-14(11)19-7-3-5-10-4-1-2-6-12(10)19;1-21(18,19)17-10-7-8-16-14-11(10)12(15)13(20-14)9-5-3-2-4-6-9;1-17-10-7-8-16-14-11(10)12(15)13(18-14)9-5-3-2-4-6-9;14-12-8-13(16-9-15-12)17-7-3-5-10-4-1-2-6-11(10)17;14-11-10-9(16)6-7-15-13(10)17-12(11)8-4-2-1-3-5-8;11-10(12,13)20(18,19)7-8(14)15-6-16-9(7)17-4-2-1-3-5-17;11-6-8-9(12)13-7-14-10(8)15-4-2-1-3-5-15;10-9(11,12)19(17,18)6-7(13)14-5-15-8(6)16-3-1-2-4-16;10-5-7-8(11)12-6-13-9(7)14-3-1-2-4-14;10-8-6-9(12-7-11-8)13-4-2-1-3-5-13;9-7-5-8(11-6-10-7)12-3-1-2-4-12/h1-12H,20H2;1,3-4,7-10H,2,5-6,11-12,19H2;1-3,6-9H,4-5,10-11,18H2;2-8H,16H2,1H3,(H,17,18,19);1-2,4,6,8H,3,5,7H2,(H2,18,19,20);1-2,4,6,9H,3,5,7H2,(H2,16,17,18);2-8H,15H2,1H3,(H,16,17);2-8H,15H2,1H3;1-2,4,6,8-9H,3,5,7H2,(H2,14,15,16);1-7H,14H2,(H,15,16);6H,1-5H2,(H2,14,15,16);7H,1-5H2,(H2,12,13,14);5H,1-4H2,(H2,13,14,15);6H,1-4H2,(H2,11,12,13);6-7H,1-5H2,(H2,10,11,12);5-6H,1-4H2,(H2,9,10,11)
InChIKeyVNKWMVPEHJMUCB-UHFFFAOYSA-N
XLogP38.76
TPSA1052.47 Ų
H-Bond Donors19
H-Bond Acceptors72
Rotatable Bonds26
Heavy Atoms294
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004186.07
LogP ≤ 538.76
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1072

Analyze 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;3-amino-2-phenyl-7H-thieno[2,3-b]pyridin-4-one;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)acetamide;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)methanesulfonamide;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;4-amino-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;2,4-diphenylthieno[2,3-b]pyridin-3-amine;4-methoxy-2-phenylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-piperidin-1-ylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-pyrrolidin-1-ylthieno[2,3-b]pyridin-3-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-pyrrolidin-1-ylpyrimidin-4-amine;6-pyrrolidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;3-amino-2-phenyl-7H-thieno[2,3-b]pyridin-4-one;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)acetamide;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)methanesulfonamide;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;4-amino-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;2,4-diphenylthieno[2,3-b]pyridin-3-amine;4-methoxy-2-phenylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-piperidin-1-ylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-pyrrolidin-1-ylthieno[2,3-b]pyridin-3-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-pyrrolidin-1-ylpyrimidin-4-amine;6-pyrrolidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine?
The IUPAC name of 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;3-amino-2-phenyl-7H-thieno[2,3-b]pyridin-4-one;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)acetamide;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)methanesulfonamide;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;4-amino-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;2,4-diphenylthieno[2,3-b]pyridin-3-amine;4-methoxy-2-phenylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-piperidin-1-ylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-pyrrolidin-1-ylthieno[2,3-b]pyridin-3-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-pyrrolidin-1-ylpyrimidin-4-amine;6-pyrrolidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine (CID 161346951) is 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;3-amino-2-phenyl-7H-thieno[2,3-b]pyridin-4-one;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)acetamide;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)methanesulfonamide;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;4-amino-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;2,4-diphenylthieno[2,3-b]pyridin-3-amine;4-methoxy-2-phenylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-piperidin-1-ylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-pyrrolidin-1-ylthieno[2,3-b]pyridin-3-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-pyrrolidin-1-ylpyrimidin-4-amine;6-pyrrolidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine.
What is the SMILES notation for 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;3-amino-2-phenyl-7H-thieno[2,3-b]pyridin-4-one;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)acetamide;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)methanesulfonamide;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;4-amino-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;2,4-diphenylthieno[2,3-b]pyridin-3-amine;4-methoxy-2-phenylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-piperidin-1-ylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-pyrrolidin-1-ylthieno[2,3-b]pyridin-3-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-pyrrolidin-1-ylpyrimidin-4-amine;6-pyrrolidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine?
The canonical SMILES for 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;3-amino-2-phenyl-7H-thieno[2,3-b]pyridin-4-one;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)acetamide;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)methanesulfonamide;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;4-amino-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;2,4-diphenylthieno[2,3-b]pyridin-3-amine;4-methoxy-2-phenylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-piperidin-1-ylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-pyrrolidin-1-ylthieno[2,3-b]pyridin-3-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-pyrrolidin-1-ylpyrimidin-4-amine;6-pyrrolidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine is CC(=O)Nc1ccnc2sc(-c3ccccc3)c(N)c12.COc1ccnc2sc(-c3ccccc3)c(N)c12.CS(=O)(=O)Nc1ccnc2sc(-c3ccccc3)c(N)c12.N#Cc1c(N)ncnc1N1CCCC1.N#Cc1c(N)ncnc1N1CCCCC1.N#Cc1c(N)ncnc1N1CCCc2ccccc21.Nc1c(-c2ccccc2)sc2[nH]ccc(=O)c12.Nc1c(-c2ccccc2)sc2nccc(-c3ccccc3)c12.Nc1c(-c2ccccc2)sc2nccc(N3CCCC3)c12.Nc1c(-c2ccccc2)sc2nccc(N3CCCCC3)c12.Nc1cc(N2CCCC2)ncn1.Nc1cc(N2CCCCC2)ncn1.Nc1cc(N2CCCc3ccccc32)ncn1.Nc1ncnc(N2CCCC2)c1S(=O)(=O)C(F)(F)F.Nc1ncnc(N2CCCCC2)c1S(=O)(=O)C(F)(F)F.Nc1ncnc(N2CCCc3ccccc32)c1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;3-amino-2-phenyl-7H-thieno[2,3-b]pyridin-4-one;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)acetamide;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)methanesulfonamide;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;4-amino-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;2,4-diphenylthieno[2,3-b]pyridin-3-amine;4-methoxy-2-phenylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-piperidin-1-ylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-pyrrolidin-1-ylthieno[2,3-b]pyridin-3-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-pyrrolidin-1-ylpyrimidin-4-amine;6-pyrrolidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine?
The InChIKey is VNKWMVPEHJMUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2S.C18H19N3S.C17H17N3S.C15H13N3OS.C14H13F3N4O2S.C14H13N5.C14H13N3O2S2.C14H12N2OS.C13H14N4.C13H10N2OS.C10H13F3N4O2S.C10H13N5.C9H11F3N4O2S.C9H11N5.C9H14N4.C8H12N4/c20-17-16-15(13-7-3-1-4-8-13)11-12-21-19(16)22-18(17)14-9-5-2-6-10-14;19-16-15-14(21-11-5-2-6-12-21)9-10-20-18(15)22-17(16)13-7-3-1-4-8-13;18-15-14-13(20-10-4-5-11-20)8-9-19-17(14)21-16(15)12-6-2-1-3-7-12;1-9(19)18-11-7-8-17-15-12(11)13(16)14(20-15)10-5-3-2-4-6-10;15-14(16,17)24(22,23)11-12(18)19-8-20-13(11)21-7-3-5-9-4-1-2-6-10(9)21;15-8-11-13(16)17-9-18-14(11)19-7-3-5-10-4-1-2-6-12(10)19;1-21(18,19)17-10-7-8-16-14-11(10)12(15)13(20-14)9-5-3-2-4-6-9;1-17-10-7-8-16-14-11(10)12(15)13(18-14)9-5-3-2-4-6-9;14-12-8-13(16-9-15-12)17-7-3-5-10-4-1-2-6-11(10)17;14-11-10-9(16)6-7-15-13(10)17-12(11)8-4-2-1-3-5-8;11-10(12,13)20(18,19)7-8(14)15-6-16-9(7)17-4-2-1-3-5-17;11-6-8-9(12)13-7-14-10(8)15-4-2-1-3-5-15;10-9(11,12)19(17,18)6-7(13)14-5-15-8(6)16-3-1-2-4-16;10-5-7-8(11)12-6-13-9(7)14-3-1-2-4-14;10-8-6-9(12-7-11-8)13-4-2-1-3-5-13;9-7-5-8(11-6-10-7)12-3-1-2-4-12/h1-12H,20H2;1,3-4,7-10H,2,5-6,11-12,19H2;1-3,6-9H,4-5,10-11,18H2;2-8H,16H2,1H3,(H,17,18,19);1-2,4,6,8H,3,5,7H2,(H2,18,19,20);1-2,4,6,9H,3,5,7H2,(H2,16,17,18);2-8H,15H2,1H3,(H,16,17);2-8H,15H2,1H3;1-2,4,6,8-9H,3,5,7H2,(H2,14,15,16);1-7H,14H2,(H,15,16);6H,1-5H2,(H2,14,15,16);7H,1-5H2,(H2,12,13,14);5H,1-4H2,(H2,13,14,15);6H,1-4H2,(H2,11,12,13);6-7H,1-5H2,(H2,10,11,12);5-6H,1-4H2,(H2,9,10,11).
What are the key properties of 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;3-amino-2-phenyl-7H-thieno[2,3-b]pyridin-4-one;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)acetamide;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)methanesulfonamide;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;4-amino-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;2,4-diphenylthieno[2,3-b]pyridin-3-amine;4-methoxy-2-phenylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-piperidin-1-ylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-pyrrolidin-1-ylthieno[2,3-b]pyridin-3-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-pyrrolidin-1-ylpyrimidin-4-amine;6-pyrrolidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine?
4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;3-amino-2-phenyl-7H-thieno[2,3-b]pyridin-4-one;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)acetamide;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)methanesulfonamide;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;4-amino-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;2,4-diphenylthieno[2,3-b]pyridin-3-amine;4-methoxy-2-phenylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-piperidin-1-ylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-pyrrolidin-1-ylthieno[2,3-b]pyridin-3-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-pyrrolidin-1-ylpyrimidin-4-amine;6-pyrrolidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine has a molecular weight of 4186.07 g/mol, XLogP of 38.76, 26 rotatable bonds, 19 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;3-amino-2-phenyl-7H-thieno[2,3-b]pyridin-4-one;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)acetamide;N-(3-amino-2-phenylthieno[2,3-b]pyridin-4-yl)methanesulfonamide;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;4-amino-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;2,4-diphenylthieno[2,3-b]pyridin-3-amine;4-methoxy-2-phenylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-piperidin-1-ylthieno[2,3-b]pyridin-3-amine;2-phenyl-4-pyrrolidin-1-ylthieno[2,3-b]pyridin-3-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-pyrrolidin-1-ylpyrimidin-4-amine;6-pyrrolidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine is sourced from PubChem (CID 161346951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).