N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methoxy-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-methyl-7-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide

C123H158N32O10 — CID 159551292

IUPACN-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methoxy-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-methyl-7-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2nccc(-c3cc(OC(C)(C)C)c4nc(C)n(C(C)C)c4c3)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3ccc4nc(C)n(C(C)C)c4c3)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3ccc4nc(OC)n(C(C)C)c4c3)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3ccc4ncn(C(C)C)c4c3)n2)c(OC)cc1N(C)CCN(C)C
InChIInChI=1S/C34H46N8O3.C30H38N8O3.C30H38N8O2.C29H36N8O2/c1-12-31(43)37-25-19-26(29(44-11)20-27(25)41(10)16-15-40(8)9)39-33-35-14-13-24(38-33)23-17-28-32(30(18-23)45-34(5,6)7)36-22(4)42(28)21(2)3;1-9-28(39)32-23-17-24(27(40-7)18-25(23)37(6)15-14-36(4)5)34-29-31-13-12-21(33-29)20-10-11-22-26(16-20)38(19(2)3)30(35-22)41-8;1-9-29(39)33-24-17-25(28(40-8)18-26(24)37(7)15-14-36(5)6)35-30-31-13-12-22(34-30)21-10-11-23-27(16-21)38(19(2)3)20(4)32-23;1-8-28(38)32-23-16-24(27(39-7)17-25(23)36(6)14-13-35(4)5)34-29-30-12-11-21(33-29)20-9-10-22-26(15-20)37(18-31-22)19(2)3/h12-14,17-21H,1,15-16H2,2-11H3,(H,37,43)(H,35,38,39);9-13,16-19H,1,14-15H2,2-8H3,(H,32,39)(H,31,33,34);9-13,16-19H,1,14-15H2,2-8H3,(H,33,39)(H,31,34,35);8-12,15-19H,1,13-14H2,2-7H3,(H,32,38)(H,30,33,34)
InChIKeyMFKQFVMXOSTXKT-UHFFFAOYSA-N
MW2244.83 g/mol
LogP21.60
Rot. Bonds46

About N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methoxy-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-methyl-7-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide

N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methoxy-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-methyl-7-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide (PubChem CID 159551292) has the molecular formula C123H158N32O10 and a molecular weight of 2244.83 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methoxy-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-methyl-7-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methoxy-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-methyl-7-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
PubChem CID159551292
Molecular FormulaC123H158N32O10
Molecular Weight2244.83 g/mol
Exact Mass2243.28
IUPAC NameN-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methoxy-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-methyl-7-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2nccc(-c3cc(OC(C)(C)C)c4nc(C)n(C(C)C)c4c3)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3ccc4nc(C)n(C(C)C)c4c3)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3ccc4nc(OC)n(C(C)C)c4c3)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3ccc4ncn(C(C)C)c4c3)n2)c(OC)cc1N(C)CCN(C)C
InChIInChI=1S/C34H46N8O3.C30H38N8O3.C30H38N8O2.C29H36N8O2/c1-12-31(43)37-25-19-26(29(44-11)20-27(25)41(10)16-15-40(8)9)39-33-35-14-13-24(38-33)23-17-28-32(30(18-23)45-34(5,6)7)36-22(4)42(28)21(2)3;1-9-28(39)32-23-17-24(27(40-7)18-25(23)37(6)15-14-36(4)5)34-29-31-13-12-21(33-29)20-10-11-22-26(16-20)38(19(2)3)30(35-22)41-8;1-9-29(39)33-24-17-25(28(40-8)18-26(24)37(7)15-14-36(5)6)35-30-31-13-12-22(34-30)21-10-11-23-27(16-21)38(19(2)3)20(4)32-23;1-8-28(38)32-23-16-24(27(39-7)17-25(23)36(6)14-13-35(4)5)34-29-30-12-11-21(33-29)20-9-10-22-26(15-20)37(18-31-22)19(2)3/h12-14,17-21H,1,15-16H2,2-11H3,(H,37,43)(H,35,38,39);9-13,16-19H,1,14-15H2,2-8H3,(H,32,39)(H,31,33,34);9-13,16-19H,1,14-15H2,2-8H3,(H,33,39)(H,31,34,35);8-12,15-19H,1,13-14H2,2-7H3,(H,32,38)(H,30,33,34)
InChIKeyMFKQFVMXOSTXKT-UHFFFAOYSA-N
XLogP21.60
TPSA420.22 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds46
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002244.83
LogP ≤ 521.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methoxy-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-methyl-7-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide with MolForge

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Related Compounds

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
CID 134228555
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 138622311
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-ethoxy-5-[[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 134228516
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-5-methoxypyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
CID 134228765
1-N-[2-(dimethylamino)ethyl]-5-methoxy-4-N-[4-(2-methoxy-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]-1-N-methyl-2-N-prop-2-enylbenzene-1,2,4-triamine
CID 138649035
6-(2-chloropyrimidin-4-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;methanol;prop-2-enoyl chloride
CID 159565869
N-[4-ethoxy-5-[[4-(2-methoxy-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-2-[methyl-[2-(methylamino)ethyl]amino]phenyl]prop-2-enamide
CID 170144433
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-ethoxy-5-[[4-(7-fluoro-2-methylsulfanyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 155017657
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methylbenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 118913163
N-[5-[[4-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
CID 178173025
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[[6-fluoro-4-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
CID 139377726
N-[5-[(4-aminopyrimidin-2-yl)amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
CID 130196997

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methoxy-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-methyl-7-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methoxy-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-methyl-7-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide (CID 159551292) is N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methoxy-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-methyl-7-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methoxy-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-methyl-7-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methoxy-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-methyl-7-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2nccc(-c3cc(OC(C)(C)C)c4nc(C)n(C(C)C)c4c3)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3ccc4nc(C)n(C(C)C)c4c3)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3ccc4nc(OC)n(C(C)C)c4c3)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3ccc4ncn(C(C)C)c4c3)n2)c(OC)cc1N(C)CCN(C)C.
What is the InChIKey of N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methoxy-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-methyl-7-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
The InChIKey is MFKQFVMXOSTXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N8O3.C30H38N8O3.C30H38N8O2.C29H36N8O2/c1-12-31(43)37-25-19-26(29(44-11)20-27(25)41(10)16-15-40(8)9)39-33-35-14-13-24(38-33)23-17-28-32(30(18-23)45-34(5,6)7)36-22(4)42(28)21(2)3;1-9-28(39)32-23-17-24(27(40-7)18-25(23)37(6)15-14-36(4)5)34-29-31-13-12-21(33-29)20-10-11-22-26(16-20)38(19(2)3)30(35-22)41-8;1-9-29(39)33-24-17-25(28(40-8)18-26(24)37(7)15-14-36(5)6)35-30-31-13-12-22(34-30)21-10-11-23-27(16-21)38(19(2)3)20(4)32-23;1-8-28(38)32-23-16-24(27(39-7)17-25(23)36(6)14-13-35(4)5)34-29-30-12-11-21(33-29)20-9-10-22-26(15-20)37(18-31-22)19(2)3/h12-14,17-21H,1,15-16H2,2-11H3,(H,37,43)(H,35,38,39);9-13,16-19H,1,14-15H2,2-8H3,(H,32,39)(H,31,33,34);9-13,16-19H,1,14-15H2,2-8H3,(H,33,39)(H,31,34,35);8-12,15-19H,1,13-14H2,2-7H3,(H,32,38)(H,30,33,34).
What are the key properties of N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methoxy-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-methyl-7-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methoxy-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-methyl-7-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide has a molecular weight of 2244.83 g/mol, XLogP of 21.60, 46 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methoxy-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-methyl-7-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 159551292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).