1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]butane-2,3-dione;1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]but-3-yn-2-one;(E)-1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;5-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]pent-1-en-3-one;3-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-1-phenylpropane-1,2-dione;N-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide;6-[3-(ethenylsulfonylmethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine

C112H120N30O10S — CID 159791118

IUPAC1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]butane-2,3-dione;1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]but-3-yn-2-one;(E)-1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;5-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]pent-1-en-3-one;3-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-1-phenylpropane-1,2-dione;N-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide;6-[3-(ethenylsulfonylmethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
SMILESC#CC(=O)Cc1cccc(-c2cc(NC)nc(N)n2)c1.C=CC(=O)CCc1ccc(-c2cc(NC)nc(N)n2)cc1.C=CC(=O)Nc1ccc(-c2cc(NC)nc(N)n2)cc1.C=CS(=O)(=O)Cc1cccc(-c2cc(NC)nc(N)n2)c1.CNc1cc(-c2cccc(CC(=O)/C=C/CN(C)C)c2)nc(N)n1.CNc1cc(-c2cccc(CC(=O)C(=O)c3ccccc3)c2)nc(N)n1.CNc1cc(-c2cccc(CC(=O)C(C)=O)c2)nc(N)n1
InChIInChI=1S/C20H18N4O2.C18H23N5O.C16H18N4O.C15H16N4O2.C15H14N4O.C14H15N5O.C14H16N4O2S/c1-22-18-12-16(23-20(21)24-18)15-9-5-6-13(10-15)11-17(25)19(26)14-7-3-2-4-8-14;1-20-17-12-16(21-18(19)22-17)14-7-4-6-13(10-14)11-15(24)8-5-9-23(2)3;1-3-13(21)9-6-11-4-7-12(8-5-11)14-10-15(18-2)20-16(17)19-14;1-9(20)13(21)7-10-4-3-5-11(6-10)12-8-14(17-2)19-15(16)18-12;1-3-12(20)8-10-5-4-6-11(7-10)13-9-14(17-2)19-15(16)18-13;1-3-13(20)17-10-6-4-9(5-7-10)11-8-12(16-2)19-14(15)18-11;1-3-21(19,20)9-10-5-4-6-11(7-10)12-8-13(16-2)18-14(15)17-12/h2-10,12H,11H2,1H3,(H3,21,22,23,24);4-8,10,12H,9,11H2,1-3H3,(H3,19,20,21,22);3-5,7-8,10H,1,6,9H2,2H3,(H3,17,18,19,20);3-6,8H,7H2,1-2H3,(H3,16,17,18,19);1,4-7,9H,8H2,2H3,(H3,16,17,18,19);3-8H,1H2,2H3,(H,17,20)(H3,15,16,18,19);3-8H,1,9H2,2H3,(H3,15,16,17,18)/b;8-5+;;;;;
InChIKeyNIONATZADXCPBI-CHSZMEQESA-N
MW2078.46 g/mol
LogP13.91
Rot. Bonds37

About 1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]butane-2,3-dione;1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]but-3-yn-2-one;(E)-1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;5-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]pent-1-en-3-one;3-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-1-phenylpropane-1,2-dione;N-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide;6-[3-(ethenylsulfonylmethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine

1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]butane-2,3-dione;1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]but-3-yn-2-one;(E)-1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;5-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]pent-1-en-3-one;3-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-1-phenylpropane-1,2-dione;N-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide;6-[3-(ethenylsulfonylmethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 159791118) has the molecular formula C112H120N30O10S and a molecular weight of 2078.46 g/mol. Its IUPAC name is 1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]butane-2,3-dione;1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]but-3-yn-2-one;(E)-1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;5-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]pent-1-en-3-one;3-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-1-phenylpropane-1,2-dione;N-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide;6-[3-(ethenylsulfonylmethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]butane-2,3-dione;1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]but-3-yn-2-one;(E)-1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;5-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]pent-1-en-3-one;3-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-1-phenylpropane-1,2-dione;N-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide;6-[3-(ethenylsulfonylmethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
PubChem CID159791118
Molecular FormulaC112H120N30O10S
Molecular Weight2078.46 g/mol
Exact Mass2076.95
IUPAC Name1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]butane-2,3-dione;1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]but-3-yn-2-one;(E)-1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;5-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]pent-1-en-3-one;3-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-1-phenylpropane-1,2-dione;N-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide;6-[3-(ethenylsulfonylmethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
SMILESC#CC(=O)Cc1cccc(-c2cc(NC)nc(N)n2)c1.C=CC(=O)CCc1ccc(-c2cc(NC)nc(N)n2)cc1.C=CC(=O)Nc1ccc(-c2cc(NC)nc(N)n2)cc1.C=CS(=O)(=O)Cc1cccc(-c2cc(NC)nc(N)n2)c1.CNc1cc(-c2cccc(CC(=O)/C=C/CN(C)C)c2)nc(N)n1.CNc1cc(-c2cccc(CC(=O)C(=O)c3ccccc3)c2)nc(N)n1.CNc1cc(-c2cccc(CC(=O)C(C)=O)c2)nc(N)n1
InChIInChI=1S/C20H18N4O2.C18H23N5O.C16H18N4O.C15H16N4O2.C15H14N4O.C14H15N5O.C14H16N4O2S/c1-22-18-12-16(23-20(21)24-18)15-9-5-6-13(10-15)11-17(25)19(26)14-7-3-2-4-8-14;1-20-17-12-16(21-18(19)22-17)14-7-4-6-13(10-14)11-15(24)8-5-9-23(2)3;1-3-13(21)9-6-11-4-7-12(8-5-11)14-10-15(18-2)20-16(17)19-14;1-9(20)13(21)7-10-4-3-5-11(6-10)12-8-14(17-2)19-15(16)18-12;1-3-12(20)8-10-5-4-6-11(7-10)13-9-14(17-2)19-15(16)18-13;1-3-13(20)17-10-6-4-9(5-7-10)11-8-12(16-2)19-14(15)18-11;1-3-21(19,20)9-10-5-4-6-11(7-10)12-8-13(16-2)18-14(15)17-12/h2-10,12H,11H2,1H3,(H3,21,22,23,24);4-8,10,12H,9,11H2,1-3H3,(H3,19,20,21,22);3-5,7-8,10H,1,6,9H2,2H3,(H3,17,18,19,20);3-6,8H,7H2,1-2H3,(H3,16,17,18,19);1,4-7,9H,8H2,2H3,(H3,16,17,18,19);3-8H,1H2,2H3,(H,17,20)(H3,15,16,18,19);3-8H,1,9H2,2H3,(H3,15,16,17,18)/b;8-5+;;;;;
InChIKeyNIONATZADXCPBI-CHSZMEQESA-N
XLogP13.91
TPSA632.78 Ų
H-Bond Donors15
H-Bond Acceptors39
Rotatable Bonds37
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002078.46
LogP ≤ 513.91
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]butane-2,3-dione;1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]but-3-yn-2-one;(E)-1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;5-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]pent-1-en-3-one;3-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-1-phenylpropane-1,2-dione;N-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide;6-[3-(ethenylsulfonylmethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine with MolForge

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Related Compounds

1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]-2-methylphenyl]but-3-en-2-one;1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]butane-2,3-dione;1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]but-3-yn-2-one;(E)-1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;6-[3-(ethenylsulfonylmethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 157643422
1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]-4-methylphenyl]but-3-en-2-one;N-[[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]methyl]prop-2-enamide;N-[[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]methyl]prop-2-enamide;3-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-1-phenylpropane-1,2-dione;N-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide
CID 157654334
1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]-2-methylphenyl]but-3-en-2-one;1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]butane-2,3-dione;1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]but-3-yn-2-one;(E)-1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-4-phenylbut-3-en-2-one;6-[3-(ethenylsulfonylmethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;methane
CID 157767186
1-[4-[4-[4,6-bis[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]piperazin-1-yl]-3-methylbutan-1-one;1-[4-[[4,6-bis[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[4-[4,6-bis[4-[1-(3-methylbutanoyl)piperidin-4-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]piperidin-1-yl]-3-methylbutan-1-one;[3,5-bis[4-(2-methylpropyl)benzoyl]-1,3,5-triazinan-1-yl]-[4-(2-methylpropyl)phenyl]methanone;1-[4-(2-methylpropyl)phenyl]-N,N-bis[[4-(2-methylpropyl)phenyl]methyl]methanamine;1,3,5-tris(3-methylbutylsulfonyl)-1,3,5-triazinane;2,4,6-tris[4-(2-methylpropyl)phenyl]-1,3,5-triazine
CID 158217905
1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]butane-2,3-dione;1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]but-3-yn-2-one;5-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]pent-1-en-3-one;3-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-1-phenylpropane-1,2-dione;N-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide;6-[3-(ethenylsulfonylmethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 158829804
3-diazo-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pentane-2,4-dione;1-[4-(ethenylsulfonylmethyl)phenyl]-2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]ethanone;(E)-5-methoxy-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pent-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]-1-[4-[[(E)-prop-1-enyl]sulfonylmethyl]phenyl]ethanone
CID 158944884
N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;3-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-pyrrolidin-1-ylmethanone
CID 159817988
tris(4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[4-methyl-3-(pyrimidin-2-ylamino)phenyl]benzamide);1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3-[4-methyl-3-(pyrimidin-2-ylamino)phenyl]urea
CID 160004540
3,4-dichloro-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pyrrole-2,5-dione;3,4-dimethyl-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pyrrole-2,5-dione;1-[4-(ethenylsulfonylmethyl)phenyl]-2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]-1-[4-[[(E)-prop-1-enyl]sulfonylmethyl]phenyl]ethanone
CID 160322499
N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-(hexylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(methanesulfonamido)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;N-[3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide;bis(1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea)
CID 160875082
3-diazo-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pentane-2,4-dione;3,4-dimethyl-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pyrrole-2,5-dione;1-[4-(ethenylsulfonylmethyl)phenyl]-2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]-1-[4-[[(E)-prop-1-enyl]sulfonylmethyl]phenyl]ethanone
CID 161108524
3-[6-(4-methylanilino)pyrimidin-4-yl]-N-phenylbenzamide;1-[4-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]ethanone;[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]-piperidin-1-ylmethanone;1-[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]propan-1-one;N-(4-methylphenyl)-6-phenylpyrimidin-4-amine;N-(4-methylphenyl)-6-pyridin-3-ylpyrimidin-4-amine
CID 161129217

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]butane-2,3-dione;1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]but-3-yn-2-one;(E)-1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;5-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]pent-1-en-3-one;3-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-1-phenylpropane-1,2-dione;N-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide;6-[3-(ethenylsulfonylmethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]butane-2,3-dione;1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]but-3-yn-2-one;(E)-1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;5-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]pent-1-en-3-one;3-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-1-phenylpropane-1,2-dione;N-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide;6-[3-(ethenylsulfonylmethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine (CID 159791118) is 1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]butane-2,3-dione;1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]but-3-yn-2-one;(E)-1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;5-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]pent-1-en-3-one;3-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-1-phenylpropane-1,2-dione;N-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide;6-[3-(ethenylsulfonylmethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]butane-2,3-dione;1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]but-3-yn-2-one;(E)-1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;5-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]pent-1-en-3-one;3-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-1-phenylpropane-1,2-dione;N-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide;6-[3-(ethenylsulfonylmethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]butane-2,3-dione;1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]but-3-yn-2-one;(E)-1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;5-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]pent-1-en-3-one;3-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-1-phenylpropane-1,2-dione;N-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide;6-[3-(ethenylsulfonylmethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine is C#CC(=O)Cc1cccc(-c2cc(NC)nc(N)n2)c1.C=CC(=O)CCc1ccc(-c2cc(NC)nc(N)n2)cc1.C=CC(=O)Nc1ccc(-c2cc(NC)nc(N)n2)cc1.C=CS(=O)(=O)Cc1cccc(-c2cc(NC)nc(N)n2)c1.CNc1cc(-c2cccc(CC(=O)/C=C/CN(C)C)c2)nc(N)n1.CNc1cc(-c2cccc(CC(=O)C(=O)c3ccccc3)c2)nc(N)n1.CNc1cc(-c2cccc(CC(=O)C(C)=O)c2)nc(N)n1.
What is the InChIKey of 1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]butane-2,3-dione;1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]but-3-yn-2-one;(E)-1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;5-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]pent-1-en-3-one;3-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-1-phenylpropane-1,2-dione;N-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide;6-[3-(ethenylsulfonylmethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is NIONATZADXCPBI-CHSZMEQESA-N. The full InChI is InChI=1S/C20H18N4O2.C18H23N5O.C16H18N4O.C15H16N4O2.C15H14N4O.C14H15N5O.C14H16N4O2S/c1-22-18-12-16(23-20(21)24-18)15-9-5-6-13(10-15)11-17(25)19(26)14-7-3-2-4-8-14;1-20-17-12-16(21-18(19)22-17)14-7-4-6-13(10-14)11-15(24)8-5-9-23(2)3;1-3-13(21)9-6-11-4-7-12(8-5-11)14-10-15(18-2)20-16(17)19-14;1-9(20)13(21)7-10-4-3-5-11(6-10)12-8-14(17-2)19-15(16)18-12;1-3-12(20)8-10-5-4-6-11(7-10)13-9-14(17-2)19-15(16)18-13;1-3-13(20)17-10-6-4-9(5-7-10)11-8-12(16-2)19-14(15)18-11;1-3-21(19,20)9-10-5-4-6-11(7-10)12-8-13(16-2)18-14(15)17-12/h2-10,12H,11H2,1H3,(H3,21,22,23,24);4-8,10,12H,9,11H2,1-3H3,(H3,19,20,21,22);3-5,7-8,10H,1,6,9H2,2H3,(H3,17,18,19,20);3-6,8H,7H2,1-2H3,(H3,16,17,18,19);1,4-7,9H,8H2,2H3,(H3,16,17,18,19);3-8H,1H2,2H3,(H,17,20)(H3,15,16,18,19);3-8H,1,9H2,2H3,(H3,15,16,17,18)/b;8-5+;;;;;.
What are the key properties of 1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]butane-2,3-dione;1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]but-3-yn-2-one;(E)-1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;5-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]pent-1-en-3-one;3-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-1-phenylpropane-1,2-dione;N-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide;6-[3-(ethenylsulfonylmethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine?
1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]butane-2,3-dione;1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]but-3-yn-2-one;(E)-1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;5-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]pent-1-en-3-one;3-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-1-phenylpropane-1,2-dione;N-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide;6-[3-(ethenylsulfonylmethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 2078.46 g/mol, XLogP of 13.91, 37 rotatable bonds, 15 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]butane-2,3-dione;1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]but-3-yn-2-one;(E)-1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;5-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]pent-1-en-3-one;3-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-1-phenylpropane-1,2-dione;N-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide;6-[3-(ethenylsulfonylmethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 159791118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).