N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

C124H111Cl4F8N45O5 — CID 172934266

IUPACN-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCc1ccnnc1-c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1cnnc(-c2cc(Cl)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Cc1cnncc1-c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4ccnnc4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(Cl)cc(-c4ccnnc4)c3)cn2)nc1N1CCOCC1
InChIInChI=1S/3C25H23ClFN9O.C25H21F4N9O.C24H21ClFN9O/c1-16-11-30-31-14-22(16)17-8-18(26)10-21(9-17)33-20-3-2-19(28-12-20)13-32-35-25-29-15-23(27)24(34-25)36-4-6-37-7-5-36;1-16-8-23(34-30-12-16)17-9-18(26)11-21(10-17)32-20-3-2-19(28-13-20)14-31-35-25-29-15-22(27)24(33-25)36-4-6-37-7-5-36;1-16-4-5-30-34-23(16)17-10-18(26)12-21(11-17)32-20-3-2-19(28-13-20)14-31-35-25-29-15-22(27)24(33-25)36-6-8-37-9-7-36;26-22-15-31-24(36-23(22)38-5-7-39-8-6-38)37-34-14-19-1-2-20(13-30-19)35-21-10-17(16-3-4-32-33-12-16)9-18(11-21)25(27,28)29;25-18-9-17(16-3-4-29-30-12-16)10-21(11-18)32-20-2-1-19(27-13-20)14-31-34-24-28-15-22(26)23(33-24)35-5-7-36-8-6-35/h2-3,8-15,33H,4-7H2,1H3,(H,29,34,35);2-3,8-15,32H,4-7H2,1H3,(H,29,33,35);2-5,10-15,32H,6-9H2,1H3,(H,29,33,35);1-4,9-15,35H,5-8H2,(H,31,36,37);1-4,9-15,32H,5-8H2,(H,28,33,34)/b32-13+;2*31-14+;34-14+;31-14+
InChIKeyXALMBTIVLFPQNO-DIYJZWTKSA-N
MW2605.36 g/mol
LogP22.03
Rot. Bonds35

About N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (PubChem CID 172934266) has the molecular formula C124H111Cl4F8N45O5 and a molecular weight of 2605.36 g/mol. Its IUPAC name is N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
PubChem CID172934266
Molecular FormulaC124H111Cl4F8N45O5
Molecular Weight2605.36 g/mol
Exact Mass2601.84
IUPAC NameN-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCc1ccnnc1-c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1cnnc(-c2cc(Cl)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Cc1cnncc1-c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4ccnnc4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(Cl)cc(-c4ccnnc4)c3)cn2)nc1N1CCOCC1
InChIInChI=1S/3C25H23ClFN9O.C25H21F4N9O.C24H21ClFN9O/c1-16-11-30-31-14-22(16)17-8-18(26)10-21(9-17)33-20-3-2-19(28-12-20)13-32-35-25-29-15-23(27)24(34-25)36-4-6-37-7-5-36;1-16-8-23(34-30-12-16)17-9-18(26)11-21(10-17)32-20-3-2-19(28-13-20)14-31-35-25-29-15-22(27)24(33-25)36-4-6-37-7-5-36;1-16-4-5-30-34-23(16)17-10-18(26)12-21(11-17)32-20-3-2-19(28-13-20)14-31-35-25-29-15-22(27)24(33-25)36-6-8-37-9-7-36;26-22-15-31-24(36-23(22)38-5-7-39-8-6-38)37-34-14-19-1-2-20(13-30-19)35-21-10-17(16-3-4-32-33-12-16)9-18(11-21)25(27,28)29;25-18-9-17(16-3-4-29-30-12-16)10-21(11-18)32-20-2-1-19(27-13-20)14-31-34-24-28-15-22(26)23(33-24)35-5-7-36-8-6-35/h2-3,8-15,33H,4-7H2,1H3,(H,29,34,35);2-3,8-15,32H,4-7H2,1H3,(H,29,33,35);2-5,10-15,32H,6-9H2,1H3,(H,29,33,35);1-4,9-15,35H,5-8H2,(H,31,36,37);1-4,9-15,32H,5-8H2,(H,28,33,34)/b32-13+;2*31-14+;34-14+;31-14+
InChIKeyXALMBTIVLFPQNO-DIYJZWTKSA-N
XLogP22.03
TPSA566.70 Ų
H-Bond Donors10
H-Bond Acceptors50
Rotatable Bonds35
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002605.36
LogP ≤ 522.03
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1050

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-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-N-[3-chloro-5-(morpholin-4-ylmethyl)phenyl]-4-N-(8-methylcinnolin-4-yl)pyrimidine-2,4-diamine
CID 165377500
4-N-(3-chloro-5-methylphenyl)-1-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]benzene-1,4-diamine
CID 57945978
N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876716
N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876720
N-[(E)-[5-(3-chloro-4-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876737
N-[(E)-[5-(3-chloro-5-pyrazin-2-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876740
N-[(E)-[5-(2-chloro-6-methyl-4-pyrimidin-5-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876741
N-[(E)-[5-[3-chloro-5-(4-methylpyrimidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876749
N-[(E)-[5-(2-chloro-4-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876758
5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 58876763
N-[(E)-[5-(2-chloro-6-methyl-4-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876777
N-[(E)-[5-[3-chloro-5-(1,3,5-triazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876778

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The IUPAC name of N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (CID 172934266) is N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The canonical SMILES for N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is Cc1ccnnc1-c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1cnnc(-c2cc(Cl)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Cc1cnncc1-c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4ccnnc4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(Cl)cc(-c4ccnnc4)c3)cn2)nc1N1CCOCC1.
What is the InChIKey of N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The InChIKey is XALMBTIVLFPQNO-DIYJZWTKSA-N. The full InChI is InChI=1S/3C25H23ClFN9O.C25H21F4N9O.C24H21ClFN9O/c1-16-11-30-31-14-22(16)17-8-18(26)10-21(9-17)33-20-3-2-19(28-12-20)13-32-35-25-29-15-23(27)24(34-25)36-4-6-37-7-5-36;1-16-8-23(34-30-12-16)17-9-18(26)11-21(10-17)32-20-3-2-19(28-13-20)14-31-35-25-29-15-22(27)24(33-25)36-4-6-37-7-5-36;1-16-4-5-30-34-23(16)17-10-18(26)12-21(11-17)32-20-3-2-19(28-13-20)14-31-35-25-29-15-22(27)24(33-25)36-6-8-37-9-7-36;26-22-15-31-24(36-23(22)38-5-7-39-8-6-38)37-34-14-19-1-2-20(13-30-19)35-21-10-17(16-3-4-32-33-12-16)9-18(11-21)25(27,28)29;25-18-9-17(16-3-4-29-30-12-16)10-21(11-18)32-20-2-1-19(27-13-20)14-31-34-24-28-15-22(26)23(33-24)35-5-7-36-8-6-35/h2-3,8-15,33H,4-7H2,1H3,(H,29,34,35);2-3,8-15,32H,4-7H2,1H3,(H,29,33,35);2-5,10-15,32H,6-9H2,1H3,(H,29,33,35);1-4,9-15,35H,5-8H2,(H,31,36,37);1-4,9-15,32H,5-8H2,(H,28,33,34)/b32-13+;2*31-14+;34-14+;31-14+.
What are the key properties of N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine has a molecular weight of 2605.36 g/mol, XLogP of 22.03, 35 rotatable bonds, 10 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 172934266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).