4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-phenylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;N-[(E)-(4-bromo-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-2-amine;2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol

C140H138Br6Cl5F9N48O15 — CID 172963894

IUPAC4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-phenylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;N-[(E)-(4-bromo-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-2-amine;2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESC/C(=N\Nc1ncc(F)c(N2CCOCC2)n1)c1cc(Br)cc(Cl)c1O.Fc1cnc(N/N=C/c2cc(Br)ccn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccccn2)nc1N1CCOCC1.Oc1c(Cl)cc(Br)cc1/C(=N/Nc1ncc(F)c(N2CCOCC2)n1)c1ccccc1.Oc1c(Cl)cc(Br)cc1/C=N/Nc1ncc(F)c(N2CCNCC2)n1.Oc1c(Cl)cc(Br)cc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Oc1c(Cl)cccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Oc1ccc(Br)cc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Oc1ccccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C21H18BrClFN5O2.C16H16BrClFN5O2.C15H15BrClFN6O.C15H14BrClFN5O2.C15H15BrFN5O2.C15H15ClFN5O2.C15H16FN5O2.C14H14BrFN6O.C14H15FN6O/c22-14-10-15(19(30)16(23)11-14)18(13-4-2-1-3-5-13)27-28-21-25-12-17(24)20(26-21)29-6-8-31-9-7-29;1-9(11-6-10(17)7-12(18)14(11)25)22-23-16-20-8-13(19)15(21-16)24-2-4-26-5-3-24;16-10-5-9(13(25)11(17)6-10)7-21-23-15-20-8-12(18)14(22-15)24-3-1-19-2-4-24;16-10-5-9(13(24)11(17)6-10)7-20-22-15-19-8-12(18)14(21-15)23-1-3-25-4-2-23;16-11-1-2-13(23)10(7-11)8-19-21-15-18-9-12(17)14(20-15)22-3-5-24-6-4-22;16-11-3-1-2-10(13(11)23)8-19-21-15-18-9-12(17)14(20-15)22-4-6-24-7-5-22;16-12-10-17-15(19-14(12)21-5-7-23-8-6-21)20-18-9-11-3-1-2-4-13(11)22;15-10-1-2-17-11(7-10)8-19-21-14-18-9-12(16)13(20-14)22-3-5-23-6-4-22;15-12-10-17-14(19-13(12)21-5-7-22-8-6-21)20-18-9-11-3-1-2-4-16-11/h1-5,10-12,30H,6-9H2,(H,25,26,28);6-8,25H,2-5H2,1H3,(H,20,21,23);5-8,19,25H,1-4H2,(H,20,22,23);5-8,24H,1-4H2,(H,19,21,22);1-2,7-9,23H,3-6H2,(H,18,20,21);1-3,8-9,23H,4-7H2,(H,18,20,21);1-4,9-10,22H,5-8H2,(H,17,19,20);1-2,7-9H,3-6H2,(H,18,20,21);1-4,9-10H,5-8H2,(H,17,19,20)/b27-18+;22-9+;21-7+;20-7+;2*19-8+;18-9+;19-8+;18-9+
InChIKeyWTAMELXJXMLKGS-RGKPMKILSA-N
MW3560.64 g/mol
LogP23.04
Rot. Bonds37

About 4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-phenylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;N-[(E)-(4-bromo-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-2-amine;2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol

4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-phenylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;N-[(E)-(4-bromo-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-2-amine;2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 172963894) has the molecular formula C140H138Br6Cl5F9N48O15 and a molecular weight of 3560.64 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-phenylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;N-[(E)-(4-bromo-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-2-amine;2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-phenylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;N-[(E)-(4-bromo-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-2-amine;2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID172963894
Molecular FormulaC140H138Br6Cl5F9N48O15
Molecular Weight3560.64 g/mol
Exact Mass3550.49
IUPAC Name4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-phenylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;N-[(E)-(4-bromo-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-2-amine;2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESC/C(=N\Nc1ncc(F)c(N2CCOCC2)n1)c1cc(Br)cc(Cl)c1O.Fc1cnc(N/N=C/c2cc(Br)ccn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccccn2)nc1N1CCOCC1.Oc1c(Cl)cc(Br)cc1/C(=N/Nc1ncc(F)c(N2CCOCC2)n1)c1ccccc1.Oc1c(Cl)cc(Br)cc1/C=N/Nc1ncc(F)c(N2CCNCC2)n1.Oc1c(Cl)cc(Br)cc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Oc1c(Cl)cccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Oc1ccc(Br)cc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Oc1ccccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C21H18BrClFN5O2.C16H16BrClFN5O2.C15H15BrClFN6O.C15H14BrClFN5O2.C15H15BrFN5O2.C15H15ClFN5O2.C15H16FN5O2.C14H14BrFN6O.C14H15FN6O/c22-14-10-15(19(30)16(23)11-14)18(13-4-2-1-3-5-13)27-28-21-25-12-17(24)20(26-21)29-6-8-31-9-7-29;1-9(11-6-10(17)7-12(18)14(11)25)22-23-16-20-8-13(19)15(21-16)24-2-4-26-5-3-24;16-10-5-9(13(25)11(17)6-10)7-21-23-15-20-8-12(18)14(22-15)24-3-1-19-2-4-24;16-10-5-9(13(24)11(17)6-10)7-20-22-15-19-8-12(18)14(21-15)23-1-3-25-4-2-23;16-11-1-2-13(23)10(7-11)8-19-21-15-18-9-12(17)14(20-15)22-3-5-24-6-4-22;16-11-3-1-2-10(13(11)23)8-19-21-15-18-9-12(17)14(20-15)22-4-6-24-7-5-22;16-12-10-17-15(19-14(12)21-5-7-23-8-6-21)20-18-9-11-3-1-2-4-13(11)22;15-10-1-2-17-11(7-10)8-19-21-14-18-9-12(16)13(20-14)22-3-5-23-6-4-22;15-12-10-17-14(19-13(12)21-5-7-22-8-6-21)20-18-9-11-3-1-2-4-16-11/h1-5,10-12,30H,6-9H2,(H,25,26,28);6-8,25H,2-5H2,1H3,(H,20,21,23);5-8,19,25H,1-4H2,(H,20,22,23);5-8,24H,1-4H2,(H,19,21,22);1-2,7-9,23H,3-6H2,(H,18,20,21);1-3,8-9,23H,4-7H2,(H,18,20,21);1-4,9-10,22H,5-8H2,(H,17,19,20);1-2,7-9H,3-6H2,(H,18,20,21);1-4,9-10H,5-8H2,(H,17,19,20)/b27-18+;22-9+;21-7+;20-7+;2*19-8+;18-9+;19-8+;18-9+
InChIKeyWTAMELXJXMLKGS-RGKPMKILSA-N
XLogP23.04
TPSA733.95 Ų
H-Bond Donors17
H-Bond Acceptors63
Rotatable Bonds37
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003560.64
LogP ≤ 523.04
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-phenylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;N-[(E)-(4-bromo-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-2-amine;2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-phenylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;N-[(E)-(4-bromo-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-2-amine;2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-phenylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;N-[(E)-(4-bromo-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-2-amine;2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (CID 172963894) is 4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-phenylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;N-[(E)-(4-bromo-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-2-amine;2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-phenylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;N-[(E)-(4-bromo-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-2-amine;2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-phenylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;N-[(E)-(4-bromo-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-2-amine;2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is C/C(=N\Nc1ncc(F)c(N2CCOCC2)n1)c1cc(Br)cc(Cl)c1O.Fc1cnc(N/N=C/c2cc(Br)ccn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccccn2)nc1N1CCOCC1.Oc1c(Cl)cc(Br)cc1/C(=N/Nc1ncc(F)c(N2CCOCC2)n1)c1ccccc1.Oc1c(Cl)cc(Br)cc1/C=N/Nc1ncc(F)c(N2CCNCC2)n1.Oc1c(Cl)cc(Br)cc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Oc1c(Cl)cccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Oc1ccc(Br)cc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Oc1ccccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-phenylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;N-[(E)-(4-bromo-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-2-amine;2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is WTAMELXJXMLKGS-RGKPMKILSA-N. The full InChI is InChI=1S/C21H18BrClFN5O2.C16H16BrClFN5O2.C15H15BrClFN6O.C15H14BrClFN5O2.C15H15BrFN5O2.C15H15ClFN5O2.C15H16FN5O2.C14H14BrFN6O.C14H15FN6O/c22-14-10-15(19(30)16(23)11-14)18(13-4-2-1-3-5-13)27-28-21-25-12-17(24)20(26-21)29-6-8-31-9-7-29;1-9(11-6-10(17)7-12(18)14(11)25)22-23-16-20-8-13(19)15(21-16)24-2-4-26-5-3-24;16-10-5-9(13(25)11(17)6-10)7-21-23-15-20-8-12(18)14(22-15)24-3-1-19-2-4-24;16-10-5-9(13(24)11(17)6-10)7-20-22-15-19-8-12(18)14(21-15)23-1-3-25-4-2-23;16-11-1-2-13(23)10(7-11)8-19-21-15-18-9-12(17)14(20-15)22-3-5-24-6-4-22;16-11-3-1-2-10(13(11)23)8-19-21-15-18-9-12(17)14(20-15)22-4-6-24-7-5-22;16-12-10-17-15(19-14(12)21-5-7-23-8-6-21)20-18-9-11-3-1-2-4-13(11)22;15-10-1-2-17-11(7-10)8-19-21-14-18-9-12(16)13(20-14)22-3-5-23-6-4-22;15-12-10-17-14(19-13(12)21-5-7-22-8-6-21)20-18-9-11-3-1-2-4-16-11/h1-5,10-12,30H,6-9H2,(H,25,26,28);6-8,25H,2-5H2,1H3,(H,20,21,23);5-8,19,25H,1-4H2,(H,20,22,23);5-8,24H,1-4H2,(H,19,21,22);1-2,7-9,23H,3-6H2,(H,18,20,21);1-3,8-9,23H,4-7H2,(H,18,20,21);1-4,9-10,22H,5-8H2,(H,17,19,20);1-2,7-9H,3-6H2,(H,18,20,21);1-4,9-10H,5-8H2,(H,17,19,20)/b27-18+;22-9+;21-7+;20-7+;2*19-8+;18-9+;19-8+;18-9+.
What are the key properties of 4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-phenylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;N-[(E)-(4-bromo-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-2-amine;2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-phenylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;N-[(E)-(4-bromo-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-2-amine;2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 3560.64 g/mol, XLogP of 23.04, 37 rotatable bonds, 17 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-C-phenylcarbonimidoyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;4-bromo-2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;N-[(E)-(4-bromo-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-2-amine;2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 172963894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).