N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;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;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methylidene-3-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-methylidene-1,3-benzoxazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide

C121H148F3N31O9 — CID 157215979

IUPACN-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;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;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methylidene-3-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-methylidene-1,3-benzoxazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2ncc(F)c(-c3cc(F)c4nc(C)n(C(C)C)c4c3)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cc(F)c4nc(C)n(C(C)C)c4c3)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cc4c5c(c3)N(C(C)C)C(=C)N5CCC4)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3ccc4c(c3)N(C)C(=C)O4)n2)c(OC)cc1N(C)CCN(C)C
InChIInChI=1S/C33H42N8O2.C30H36F2N8O2.C30H37FN8O2.C28H33N7O3/c1-9-31(42)35-26-19-27(30(43-8)20-28(26)39(7)16-15-38(5)6)37-33-34-13-12-25(36-33)24-17-23-11-10-14-40-22(4)41(21(2)3)29(18-24)32(23)40;1-9-27(41)35-22-14-23(26(42-8)15-24(22)39(7)11-10-38(5)6)36-30-33-16-21(32)28(37-30)19-12-20(31)29-25(13-19)40(17(2)3)18(4)34-29;1-9-28(40)34-23-16-24(27(41-8)17-25(23)38(7)13-12-37(5)6)36-30-32-11-10-22(35-30)20-14-21(31)29-26(15-20)39(18(2)3)19(4)33-29;1-8-27(36)30-21-16-22(26(37-7)17-23(21)34(5)14-13-33(3)4)32-28-29-12-11-20(31-28)19-9-10-25-24(15-19)35(6)18(2)38-25/h9,12-13,17-21H,1,4,10-11,14-16H2,2-3,5-8H3,(H,35,42)(H,34,36,37);9,12-17H,1,10-11H2,2-8H3,(H,35,41)(H,33,36,37);9-11,14-18H,1,12-13H2,2-8H3,(H,34,40)(H,32,35,36);8-12,15-17H,1-2,13-14H2,3-7H3,(H,30,36)(H,29,31,32)
InChIKeyASKPHRTVLAMCNG-UHFFFAOYSA-N
MW2237.72 g/mol
LogP20.72
Rot. Bonds43

About N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;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;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methylidene-3-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-methylidene-1,3-benzoxazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;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;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methylidene-3-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-methylidene-1,3-benzoxazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide (PubChem CID 157215979) has the molecular formula C121H148F3N31O9 and a molecular weight of 2237.72 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;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;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methylidene-3-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-methylidene-1,3-benzoxazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;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;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methylidene-3-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-methylidene-1,3-benzoxazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
PubChem CID157215979
Molecular FormulaC121H148F3N31O9
Molecular Weight2237.72 g/mol
Exact Mass2236.20
IUPAC NameN-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;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;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methylidene-3-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-methylidene-1,3-benzoxazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2ncc(F)c(-c3cc(F)c4nc(C)n(C(C)C)c4c3)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cc(F)c4nc(C)n(C(C)C)c4c3)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cc4c5c(c3)N(C(C)C)C(=C)N5CCC4)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3ccc4c(c3)N(C)C(=C)O4)n2)c(OC)cc1N(C)CCN(C)C
InChIInChI=1S/C33H42N8O2.C30H36F2N8O2.C30H37FN8O2.C28H33N7O3/c1-9-31(42)35-26-19-27(30(43-8)20-28(26)39(7)16-15-38(5)6)37-33-34-13-12-25(36-33)24-17-23-11-10-14-40-22(4)41(21(2)3)29(18-24)32(23)40;1-9-27(41)35-22-14-23(26(42-8)15-24(22)39(7)11-10-38(5)6)36-30-33-16-21(32)28(37-30)19-12-20(31)29-25(13-19)40(17(2)3)18(4)34-29;1-9-28(40)34-23-16-24(27(41-8)17-25(23)38(7)13-12-37(5)6)36-30-32-11-10-22(35-30)20-14-21(31)29-26(15-20)39(18(2)3)19(4)33-29;1-8-27(36)30-21-16-22(26(37-7)17-23(21)34(5)14-13-33(3)4)32-28-29-12-11-20(31-28)19-9-10-25-24(15-19)35(6)18(2)38-25/h9,12-13,17-21H,1,4,10-11,14-16H2,2-3,5-8H3,(H,35,42)(H,34,36,37);9,12-17H,1,10-11H2,2-8H3,(H,35,41)(H,33,36,37);9-11,14-18H,1,12-13H2,2-8H3,(H,34,40)(H,32,35,36);8-12,15-17H,1-2,13-14H2,3-7H3,(H,30,36)(H,29,31,32)
InChIKeyASKPHRTVLAMCNG-UHFFFAOYSA-N
XLogP20.72
TPSA385.07 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds43
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002237.72
LogP ≤ 520.72
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;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;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methylidene-3-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-methylidene-1,3-benzoxazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide with MolForge

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Related Compounds

US11111233, Example 2
CID 134228487
US11111233, Example 19
CID 134228506
US11111233, Example 47
CID 134228510
US11111233, Example 21
CID 134228517
US11111233, Example 53
CID 134228555
US11111233, Example 4
CID 134228912
US11111233, Example 60
CID 138622279
US11111233, Example 68
CID 138622360
US11111233, Example 37
CID 134228509
US11111233, Example 13
CID 134228671
US11111233, Example 14
CID 134228743
US11111233, Example 3
CID 134228765

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;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;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methylidene-3-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-methylidene-1,3-benzoxazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;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;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methylidene-3-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-methylidene-1,3-benzoxazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide (CID 157215979) is N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;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;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methylidene-3-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-methylidene-1,3-benzoxazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;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;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methylidene-3-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-methylidene-1,3-benzoxazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;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;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methylidene-3-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-methylidene-1,3-benzoxazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2ncc(F)c(-c3cc(F)c4nc(C)n(C(C)C)c4c3)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cc(F)c4nc(C)n(C(C)C)c4c3)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cc4c5c(c3)N(C(C)C)C(=C)N5CCC4)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3ccc4c(c3)N(C)C(=C)O4)n2)c(OC)cc1N(C)CCN(C)C.
What is the InChIKey of N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;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;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methylidene-3-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-methylidene-1,3-benzoxazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
The InChIKey is ASKPHRTVLAMCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N8O2.C30H36F2N8O2.C30H37FN8O2.C28H33N7O3/c1-9-31(42)35-26-19-27(30(43-8)20-28(26)39(7)16-15-38(5)6)37-33-34-13-12-25(36-33)24-17-23-11-10-14-40-22(4)41(21(2)3)29(18-24)32(23)40;1-9-27(41)35-22-14-23(26(42-8)15-24(22)39(7)11-10-38(5)6)36-30-33-16-21(32)28(37-30)19-12-20(31)29-25(13-19)40(17(2)3)18(4)34-29;1-9-28(40)34-23-16-24(27(41-8)17-25(23)38(7)13-12-37(5)6)36-30-32-11-10-22(35-30)20-14-21(31)29-26(15-20)39(18(2)3)19(4)33-29;1-8-27(36)30-21-16-22(26(37-7)17-23(21)34(5)14-13-33(3)4)32-28-29-12-11-20(31-28)19-9-10-25-24(15-19)35(6)18(2)38-25/h9,12-13,17-21H,1,4,10-11,14-16H2,2-3,5-8H3,(H,35,42)(H,34,36,37);9,12-17H,1,10-11H2,2-8H3,(H,35,41)(H,33,36,37);9-11,14-18H,1,12-13H2,2-8H3,(H,34,40)(H,32,35,36);8-12,15-17H,1-2,13-14H2,3-7H3,(H,30,36)(H,29,31,32).
What are the key properties of N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;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;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methylidene-3-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-methylidene-1,3-benzoxazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;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;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methylidene-3-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-methylidene-1,3-benzoxazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide has a molecular weight of 2237.72 g/mol, XLogP of 20.72, 43 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;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;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methylidene-3-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-methylidene-1,3-benzoxazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 157215979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).