3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine

C122H135ClF8N38O7 — CID 172918261

IUPAC3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
SMILESCN(C)Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C(F)(F)F)c1.CN(C)Cc1cc(O)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.CN(C)Cc1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1.Cc1cc(Nc2cc(Cl)cc(-c3cccc(O)c3)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)ccc1CN(C)C
InChIInChI=1S/C28H26ClFN6O2.C24H26F4N8O.C24H29FN8O.C23H27FN8O2.C23H27FN8O/c1-18-11-23(33-24-13-21(12-22(29)15-24)19-3-2-4-25(37)14-19)6-5-20(18)16-32-35-28-31-17-26(30)27(34-28)36-7-9-38-10-8-36;1-35(2)15-16-9-17(24(26,27)28)11-20(10-16)32-19-4-3-18(29-12-19)13-31-34-23-30-14-21(25)22(33-23)36-5-7-37-8-6-36;1-17-12-19(5-4-18(17)16-32(2)3)29-21-7-6-20(26-13-21)14-28-31-24-27-15-22(25)23(30-24)33-8-10-34-11-9-33;1-31(2)15-16-9-19(11-20(33)10-16)28-18-4-3-17(25-12-18)13-27-30-23-26-14-21(24)22(29-23)32-5-7-34-8-6-32;1-31(2)16-17-3-5-18(6-4-17)28-20-8-7-19(25-13-20)14-27-30-23-26-15-21(24)22(29-23)32-9-11-33-12-10-32/h2-6,11-17,33,37H,7-10H2,1H3,(H,31,34,35);3-4,9-14,32H,5-8,15H2,1-2H3,(H,30,33,34);4-7,12-15,29H,8-11,16H2,1-3H3,(H,27,30,31);3-4,9-14,28,33H,5-8,15H2,1-2H3,(H,26,29,30);3-8,13-15,28H,9-12,16H2,1-2H3,(H,26,29,30)/b32-16+;31-13+;28-14+;27-13+;27-14+
InChIKeyKELBPGOEORKLBH-DOMOAMKPSA-N
MW2433.12 g/mol
LogP19.40
Rot. Bonds39

About 3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine

3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 172918261) has the molecular formula C122H135ClF8N38O7 and a molecular weight of 2433.12 g/mol. Its IUPAC name is 3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID172918261
Molecular FormulaC122H135ClF8N38O7
Molecular Weight2433.12 g/mol
Exact Mass2431.09
IUPAC Name3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
SMILESCN(C)Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C(F)(F)F)c1.CN(C)Cc1cc(O)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.CN(C)Cc1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1.Cc1cc(Nc2cc(Cl)cc(-c3cccc(O)c3)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)ccc1CN(C)C
InChIInChI=1S/C28H26ClFN6O2.C24H26F4N8O.C24H29FN8O.C23H27FN8O2.C23H27FN8O/c1-18-11-23(33-24-13-21(12-22(29)15-24)19-3-2-4-25(37)14-19)6-5-20(18)16-32-35-28-31-17-26(30)27(34-28)36-7-9-38-10-8-36;1-35(2)15-16-9-17(24(26,27)28)11-20(10-16)32-19-4-3-18(29-12-19)13-31-34-23-30-14-21(25)22(33-23)36-5-7-37-8-6-36;1-17-12-19(5-4-18(17)16-32(2)3)29-21-7-6-20(26-13-21)14-28-31-24-27-15-22(25)23(30-24)33-8-10-34-11-9-33;1-31(2)15-16-9-19(11-20(33)10-16)28-18-4-3-17(25-12-18)13-27-30-23-26-14-21(24)22(29-23)32-5-7-34-8-6-32;1-31(2)16-17-3-5-18(6-4-17)28-20-8-7-19(25-13-20)14-27-30-23-26-15-21(24)22(29-23)32-9-11-33-12-10-32/h2-6,11-17,33,37H,7-10H2,1H3,(H,31,34,35);3-4,9-14,32H,5-8,15H2,1-2H3,(H,30,33,34);4-7,12-15,29H,8-11,16H2,1-3H3,(H,27,30,31);3-4,9-14,28,33H,5-8,15H2,1-2H3,(H,26,29,30);3-8,13-15,28H,9-12,16H2,1-2H3,(H,26,29,30)/b32-16+;31-13+;28-14+;27-13+;27-14+
InChIKeyKELBPGOEORKLBH-DOMOAMKPSA-N
XLogP19.40
TPSA478.33 Ų
H-Bond Donors12
H-Bond Acceptors45
Rotatable Bonds39
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002433.12
LogP ≤ 519.40
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze 3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-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-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methylpyridin-3-yl]amino]-2-(trifluoromethyl)phenyl]phenol
CID 57945947
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
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-[3-chloro-5-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]phenyl]phenol
CID 58876791
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-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol
CID 58876927
2-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol
CID 58876974
3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(3-hydroxyphenyl)phenol
CID 58876981
3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol
CID 58877087

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine (CID 172918261) is 3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is CN(C)Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C(F)(F)F)c1.CN(C)Cc1cc(O)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.CN(C)Cc1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1.Cc1cc(Nc2cc(Cl)cc(-c3cccc(O)c3)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)ccc1CN(C)C.
What is the InChIKey of 3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is KELBPGOEORKLBH-DOMOAMKPSA-N. The full InChI is InChI=1S/C28H26ClFN6O2.C24H26F4N8O.C24H29FN8O.C23H27FN8O2.C23H27FN8O/c1-18-11-23(33-24-13-21(12-22(29)15-24)19-3-2-4-25(37)14-19)6-5-20(18)16-32-35-28-31-17-26(30)27(34-28)36-7-9-38-10-8-36;1-35(2)15-16-9-17(24(26,27)28)11-20(10-16)32-19-4-3-18(29-12-19)13-31-34-23-30-14-21(25)22(33-23)36-5-7-37-8-6-36;1-17-12-19(5-4-18(17)16-32(2)3)29-21-7-6-20(26-13-21)14-28-31-24-27-15-22(25)23(30-24)33-8-10-34-11-9-33;1-31(2)15-16-9-19(11-20(33)10-16)28-18-4-3-17(25-12-18)13-27-30-23-26-14-21(24)22(29-23)32-5-7-34-8-6-32;1-31(2)16-17-3-5-18(6-4-17)28-20-8-7-19(25-13-20)14-27-30-23-26-15-21(24)22(29-23)32-9-11-33-12-10-32/h2-6,11-17,33,37H,7-10H2,1H3,(H,31,34,35);3-4,9-14,32H,5-8,15H2,1-2H3,(H,30,33,34);4-7,12-15,29H,8-11,16H2,1-3H3,(H,27,30,31);3-4,9-14,28,33H,5-8,15H2,1-2H3,(H,26,29,30);3-8,13-15,28H,9-12,16H2,1-2H3,(H,26,29,30)/b32-16+;31-13+;28-14+;27-13+;27-14+.
What are the key properties of 3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 2433.12 g/mol, XLogP of 19.40, 39 rotatable bonds, 12 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 172918261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).