N-[3-[(4-anilino-5-methylpyrimidin-2-yl)amino]phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide

C104H102F2N26O5 — CID 161303249

IUPACN-[3-[(4-anilino-5-methylpyrimidin-2-yl)amino]phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(Nc2ncc(C)c(Nc3cccc(C)c3)n2)c1.C=CC(=O)Nc1cccc(Nc2ncc(C)c(Nc3ccccc3)n2)c1.C=CC(=O)Nc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3)n2)c1.C=CC(=O)Nc1cccc(Nc2nccc(Nc3cccc(C)c3)n2)c1.Cc1cccc(Nc2nc(Nc3cccc(NC(=O)/C=C/CN(C)C)c3)ncc2F)c1
InChIInChI=1S/C23H25FN6O.C21H21N5O.C20H18FN5O.2C20H19N5O/c1-16-7-4-8-17(13-16)27-22-20(24)15-25-23(29-22)28-19-10-5-9-18(14-19)26-21(31)11-6-12-30(2)3;1-4-19(27)23-17-9-6-10-18(12-17)25-21-22-13-15(3)20(26-21)24-16-8-5-7-14(2)11-16;1-3-18(27)23-15-8-5-9-16(11-15)25-20-22-12-17(21)19(26-20)24-14-7-4-6-13(2)10-14;1-3-19(26)23-16-8-5-9-17(13-16)24-20-21-11-10-18(25-20)22-15-7-4-6-14(2)12-15;1-3-18(26)22-16-10-7-11-17(12-16)24-20-21-13-14(2)19(25-20)23-15-8-5-4-6-9-15/h4-11,13-15H,12H2,1-3H3,(H,26,31)(H2,25,27,28,29);4-13H,1H2,2-3H3,(H,23,27)(H2,22,24,25,26);3-12H,1H2,2H3,(H,23,27)(H2,22,24,25,26);3-13H,1H2,2H3,(H,23,26)(H2,21,22,24,25);3-13H,1H2,2H3,(H,22,26)(H2,21,23,24,25)/b11-6+;;;;
InChIKeyVHXBCALIKIJSTG-ZUXDPTBISA-N
MW1834.13 g/mol
LogP22.50
Rot. Bonds32

About N-[3-[(4-anilino-5-methylpyrimidin-2-yl)amino]phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide

N-[3-[(4-anilino-5-methylpyrimidin-2-yl)amino]phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide (PubChem CID 161303249) has the molecular formula C104H102F2N26O5 and a molecular weight of 1834.13 g/mol. Its IUPAC name is N-[3-[(4-anilino-5-methylpyrimidin-2-yl)amino]phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[(4-anilino-5-methylpyrimidin-2-yl)amino]phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
PubChem CID161303249
Molecular FormulaC104H102F2N26O5
Molecular Weight1834.13 g/mol
Exact Mass1832.85
IUPAC NameN-[3-[(4-anilino-5-methylpyrimidin-2-yl)amino]phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(Nc2ncc(C)c(Nc3cccc(C)c3)n2)c1.C=CC(=O)Nc1cccc(Nc2ncc(C)c(Nc3ccccc3)n2)c1.C=CC(=O)Nc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3)n2)c1.C=CC(=O)Nc1cccc(Nc2nccc(Nc3cccc(C)c3)n2)c1.Cc1cccc(Nc2nc(Nc3cccc(NC(=O)/C=C/CN(C)C)c3)ncc2F)c1
InChIInChI=1S/C23H25FN6O.C21H21N5O.C20H18FN5O.2C20H19N5O/c1-16-7-4-8-17(13-16)27-22-20(24)15-25-23(29-22)28-19-10-5-9-18(14-19)26-21(31)11-6-12-30(2)3;1-4-19(27)23-17-9-6-10-18(12-17)25-21-22-13-15(3)20(26-21)24-16-8-5-7-14(2)11-16;1-3-18(27)23-15-8-5-9-16(11-15)25-20-22-12-17(21)19(26-20)24-14-7-4-6-13(2)10-14;1-3-19(26)23-16-8-5-9-17(13-16)24-20-21-11-10-18(25-20)22-15-7-4-6-14(2)12-15;1-3-18(26)22-16-10-7-11-17(12-16)24-20-21-13-14(2)19(25-20)23-15-8-5-4-6-9-15/h4-11,13-15H,12H2,1-3H3,(H,26,31)(H2,25,27,28,29);4-13H,1H2,2-3H3,(H,23,27)(H2,22,24,25,26);3-12H,1H2,2H3,(H,23,27)(H2,22,24,25,26);3-13H,1H2,2H3,(H,23,26)(H2,21,22,24,25);3-13H,1H2,2H3,(H,22,26)(H2,21,23,24,25)/b11-6+;;;;
InChIKeyVHXBCALIKIJSTG-ZUXDPTBISA-N
XLogP22.50
TPSA397.94 Ų
H-Bond Donors15
H-Bond Acceptors26
Rotatable Bonds32
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001834.13
LogP ≤ 522.50
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-[(4-anilino-5-methylpyrimidin-2-yl)amino]phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide with MolForge

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Related Compounds

1-[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;N-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 158077953
4-(dimethylamino)-N-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide
CID 75055537
(E)-N-[3-[[4-[(4-bromonaphthalen-2-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]-4-(dimethylamino)but-2-enamide
CID 140813150
N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 138729673
(E)-4-(dimethylamino)-N-(3-methylphenyl)but-2-enamide
CID 118034064
1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;(E)-4-(dimethylamino)-N-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-2-[4-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile
CID 160756032
N-[3-[[2-(3-butoxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 148718366
N-[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 59174451
N-[3-[[2-[4-(2,2-dideuterio-2-methoxyethoxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 71609775
4-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methyl-N-propan-2-ylpyridine-2-carboxamide
CID 171457586
N-[3-[[2-[(6-methoxy-3-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 89432656
N-[3-[[2-[4-[2-(2-aminoethoxy)ethoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 129028251

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-anilino-5-methylpyrimidin-2-yl)amino]phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
The IUPAC name of N-[3-[(4-anilino-5-methylpyrimidin-2-yl)amino]phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide (CID 161303249) is N-[3-[(4-anilino-5-methylpyrimidin-2-yl)amino]phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[(4-anilino-5-methylpyrimidin-2-yl)amino]phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-[(4-anilino-5-methylpyrimidin-2-yl)amino]phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(Nc2ncc(C)c(Nc3cccc(C)c3)n2)c1.C=CC(=O)Nc1cccc(Nc2ncc(C)c(Nc3ccccc3)n2)c1.C=CC(=O)Nc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3)n2)c1.C=CC(=O)Nc1cccc(Nc2nccc(Nc3cccc(C)c3)n2)c1.Cc1cccc(Nc2nc(Nc3cccc(NC(=O)/C=C/CN(C)C)c3)ncc2F)c1.
What is the InChIKey of N-[3-[(4-anilino-5-methylpyrimidin-2-yl)amino]phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
The InChIKey is VHXBCALIKIJSTG-ZUXDPTBISA-N. The full InChI is InChI=1S/C23H25FN6O.C21H21N5O.C20H18FN5O.2C20H19N5O/c1-16-7-4-8-17(13-16)27-22-20(24)15-25-23(29-22)28-19-10-5-9-18(14-19)26-21(31)11-6-12-30(2)3;1-4-19(27)23-17-9-6-10-18(12-17)25-21-22-13-15(3)20(26-21)24-16-8-5-7-14(2)11-16;1-3-18(27)23-15-8-5-9-16(11-15)25-20-22-12-17(21)19(26-20)24-14-7-4-6-13(2)10-14;1-3-19(26)23-16-8-5-9-17(13-16)24-20-21-11-10-18(25-20)22-15-7-4-6-14(2)12-15;1-3-18(26)22-16-10-7-11-17(12-16)24-20-21-13-14(2)19(25-20)23-15-8-5-4-6-9-15/h4-11,13-15H,12H2,1-3H3,(H,26,31)(H2,25,27,28,29);4-13H,1H2,2-3H3,(H,23,27)(H2,22,24,25,26);3-12H,1H2,2H3,(H,23,27)(H2,22,24,25,26);3-13H,1H2,2H3,(H,23,26)(H2,21,22,24,25);3-13H,1H2,2H3,(H,22,26)(H2,21,23,24,25)/b11-6+;;;;.
What are the key properties of N-[3-[(4-anilino-5-methylpyrimidin-2-yl)amino]phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
N-[3-[(4-anilino-5-methylpyrimidin-2-yl)amino]phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide has a molecular weight of 1834.13 g/mol, XLogP of 22.50, 32 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-anilino-5-methylpyrimidin-2-yl)amino]phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 161303249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).