N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-pyrimidin-4-ylphenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

C123H109ClF11N45O6 — CID 172923334

IUPACN-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-pyrimidin-4-ylphenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccncn2)c1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4ccncn4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4cnccn4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(Cl)cc(-c4ccncn4)c3)cn2)nc1N1CCOCC1.Oc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccncn2)c1
InChIInChI=1S/2C25H21F4N9O.C25H24FN9O.C24H21ClFN9O.C24H22FN9O2/c26-21-14-33-24(36-23(21)38-5-7-39-8-6-38)37-34-13-18-1-2-19(12-32-18)35-20-10-16(22-15-30-3-4-31-22)9-17(11-20)25(27,28)29;26-21-14-32-24(36-23(21)38-5-7-39-8-6-38)37-34-13-18-1-2-19(12-31-18)35-20-10-16(22-3-4-30-15-33-22)9-17(11-20)25(27,28)29;1-17-10-18(23-4-5-27-16-30-23)12-21(11-17)32-20-3-2-19(28-13-20)14-31-34-25-29-15-22(26)24(33-25)35-6-8-36-9-7-35;25-17-9-16(22-3-4-27-15-30-22)10-20(11-17)32-19-2-1-18(28-12-19)13-31-34-24-29-14-21(26)23(33-24)35-5-7-36-8-6-35;25-21-14-28-24(32-23(21)34-5-7-36-8-6-34)33-30-13-17-1-2-18(12-27-17)31-19-9-16(10-20(35)11-19)22-3-4-26-15-29-22/h1-4,9-15,35H,5-8H2,(H,33,36,37);1-4,9-15,35H,5-8H2,(H,32,36,37);2-5,10-16,32H,6-9H2,1H3,(H,29,33,34);1-4,9-15,32H,5-8H2,(H,29,33,34);1-4,9-15,31,35H,5-8H2,(H,28,32,33)/b2*34-13+;31-14+;31-13+;30-13+
InChIKeyMCVHGXCBAORGPI-QSCSYBFTSA-N
MW2557.96 g/mol
LogP20.17
Rot. Bonds35

About N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-pyrimidin-4-ylphenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-pyrimidin-4-ylphenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (PubChem CID 172923334) has the molecular formula C123H109ClF11N45O6 and a molecular weight of 2557.96 g/mol. Its IUPAC name is N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-pyrimidin-4-ylphenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-pyrimidin-4-ylphenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
PubChem CID172923334
Molecular FormulaC123H109ClF11N45O6
Molecular Weight2557.96 g/mol
Exact Mass2555.91
IUPAC NameN-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-pyrimidin-4-ylphenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccncn2)c1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4ccncn4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4cnccn4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(Cl)cc(-c4ccncn4)c3)cn2)nc1N1CCOCC1.Oc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccncn2)c1
InChIInChI=1S/2C25H21F4N9O.C25H24FN9O.C24H21ClFN9O.C24H22FN9O2/c26-21-14-33-24(36-23(21)38-5-7-39-8-6-38)37-34-13-18-1-2-19(12-32-18)35-20-10-16(22-15-30-3-4-31-22)9-17(11-20)25(27,28)29;26-21-14-32-24(36-23(21)38-5-7-39-8-6-38)37-34-13-18-1-2-19(12-31-18)35-20-10-16(22-3-4-30-15-33-22)9-17(11-20)25(27,28)29;1-17-10-18(23-4-5-27-16-30-23)12-21(11-17)32-20-3-2-19(28-13-20)14-31-34-25-29-15-22(26)24(33-25)35-6-8-36-9-7-35;25-17-9-16(22-3-4-27-15-30-22)10-20(11-17)32-19-2-1-18(28-12-19)13-31-34-24-29-14-21(26)23(33-24)35-5-7-36-8-6-35;25-21-14-28-24(32-23(21)34-5-7-36-8-6-34)33-30-13-17-1-2-18(12-27-17)31-19-9-16(10-20(35)11-19)22-3-4-26-15-29-22/h1-4,9-15,35H,5-8H2,(H,33,36,37);1-4,9-15,35H,5-8H2,(H,32,36,37);2-5,10-16,32H,6-9H2,1H3,(H,29,33,34);1-4,9-15,32H,5-8H2,(H,29,33,34);1-4,9-15,31,35H,5-8H2,(H,28,32,33)/b2*34-13+;31-14+;31-13+;30-13+
InChIKeyMCVHGXCBAORGPI-QSCSYBFTSA-N
XLogP20.17
TPSA586.93 Ų
H-Bond Donors11
H-Bond Acceptors51
Rotatable Bonds35
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002557.96
LogP ≤ 520.17
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

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

Analyze N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-pyrimidin-4-ylphenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

3-chloro-5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-methylphenyl]methyl]phenol
CID 57945926
3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-ylpyridin-3-yl]amino]-5-(trifluoromethyl)phenyl]phenol
CID 57945940
3-[[2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-6-methylphenyl]methyl]phenol
CID 57945992
2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol
CID 58876756
N-(3-chloro-5-methylphenyl)-3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-hydroxybenzamide
CID 58876759
3-[3-chloro-5-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol
CID 58876774
3-[4-[[4-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]phenol
CID 58876783
3-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(3-hydroxyphenyl)phenol
CID 58876824
3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propylpyridin-3-yl]amino]-5-(trifluoromethyl)phenyl]phenol
CID 58876840
3-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol
CID 58876927
3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]anilino]-5-methylphenol
CID 58876972
3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(3-hydroxyphenyl)phenol
CID 58876981

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-pyrimidin-4-ylphenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The IUPAC name of N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-pyrimidin-4-ylphenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (CID 172923334) is N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-pyrimidin-4-ylphenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-pyrimidin-4-ylphenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The canonical SMILES for N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-pyrimidin-4-ylphenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccncn2)c1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4ccncn4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4cnccn4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(Cl)cc(-c4ccncn4)c3)cn2)nc1N1CCOCC1.Oc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccncn2)c1.
What is the InChIKey of N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-pyrimidin-4-ylphenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The InChIKey is MCVHGXCBAORGPI-QSCSYBFTSA-N. The full InChI is InChI=1S/2C25H21F4N9O.C25H24FN9O.C24H21ClFN9O.C24H22FN9O2/c26-21-14-33-24(36-23(21)38-5-7-39-8-6-38)37-34-13-18-1-2-19(12-32-18)35-20-10-16(22-15-30-3-4-31-22)9-17(11-20)25(27,28)29;26-21-14-32-24(36-23(21)38-5-7-39-8-6-38)37-34-13-18-1-2-19(12-31-18)35-20-10-16(22-3-4-30-15-33-22)9-17(11-20)25(27,28)29;1-17-10-18(23-4-5-27-16-30-23)12-21(11-17)32-20-3-2-19(28-13-20)14-31-34-25-29-15-22(26)24(33-25)35-6-8-36-9-7-35;25-17-9-16(22-3-4-27-15-30-22)10-20(11-17)32-19-2-1-18(28-12-19)13-31-34-24-29-14-21(26)23(33-24)35-5-7-36-8-6-35;25-21-14-28-24(32-23(21)34-5-7-36-8-6-34)33-30-13-17-1-2-18(12-27-17)31-19-9-16(10-20(35)11-19)22-3-4-26-15-29-22/h1-4,9-15,35H,5-8H2,(H,33,36,37);1-4,9-15,35H,5-8H2,(H,32,36,37);2-5,10-16,32H,6-9H2,1H3,(H,29,33,34);1-4,9-15,32H,5-8H2,(H,29,33,34);1-4,9-15,31,35H,5-8H2,(H,28,32,33)/b2*34-13+;31-14+;31-13+;30-13+.
What are the key properties of N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-pyrimidin-4-ylphenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-pyrimidin-4-ylphenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine has a molecular weight of 2557.96 g/mol, XLogP of 20.17, 35 rotatable bonds, 11 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-pyrimidin-4-ylphenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 172923334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).