N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propylpyrimidin-2-yl]methanamine;N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-prop-2-enylpyrimidin-2-yl]methanamine;2-fluoro-N-[[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-yl]methyl]ethanamine;5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;4-[7-(3H-indol-6-yl)-9-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-6-methyl-5-propan-2-ylpyrimidin-2-amine;4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-amine

C173H197F2N31O6 — CID 161037985

About N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propylpyrimidin-2-yl]methanamine;N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-prop-2-enylpyrimidin-2-yl]methanamine;2-fluoro-N-[[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-yl]methyl]ethanamine;5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;4-[7-(3H-indol-6-yl)-9-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-6-methyl-5-propan-2-ylpyrimidin-2-amine;4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-amine

N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propylpyrimidin-2-yl]methanamine;N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-prop-2-enylpyrimidin-2-yl]methanamine;2-fluoro-N-[[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-yl]methyl]ethanamine;5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;4-[7-(3H-indol-6-yl)-9-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-6-methyl-5-propan-2-ylpyrimidin-2-amine;4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-amine (PubChem CID 161037985) has the molecular formula C173H197F2N31O6 and a molecular weight of 2844.69 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propylpyrimidin-2-yl]methanamine;N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-prop-2-enylpyrimidin-2-yl]methanamine;2-fluoro-N-[[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-yl]methyl]ethanamine;5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;4-[7-(3H-indol-6-yl)-9-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-6-methyl-5-propan-2-ylpyrimidin-2-amine;4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-amine.

Molecular Properties

• Compound Name: N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propylpyrimidin-2-yl]methanamine;N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-prop-2-enylpyrimidin-2-yl]methanamine;2-fluoro-N-[[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-yl]methyl]ethanamine;5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;4-[7-(3H-indol-6-yl)-9-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-6-methyl-5-propan-2-ylpyrimidin-2-amine;4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-amine
• PubChem CID: 161037985
• Molecular Formula: C173H197F2N31O6
• Molecular Weight: 2844.69 g/mol
• Exact Mass: 2842.60
• IUPAC Name: N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propylpyrimidin-2-yl]methanamine;N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-prop-2-enylpyrimidin-2-yl]methanamine;2-fluoro-N-[[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-yl]methyl]ethanamine;5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;4-[7-(3H-indol-6-yl)-9-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-6-methyl-5-propan-2-ylpyrimidin-2-amine;4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-amine
• SMILES: C=CCc1c(C)nc(CN(C)C)nc1N1CCOc2c(C)cc(-c3ccc4c(c3)N=C(C)C4)cc2C1.CC1=Nc2cc(-c3cc(C)c4c(c3)CN(c3nc(CNCCF)nc(C)c3C(C)C)CCO4)ccc2C1.CC1=Nc2cc(-c3cc(C)c4c(c3)CN(c3nc(N)nc(C)c3C(C)C)CCO4)ccc2C1.CC1=Nc2cc(-c3cc(C)c4c(c3)CN(c3nc(N)nc(C)c3Cc3ccc(F)cc3)CCO4)ccc2C1.CCCc1c(C)nc(CN(C)C)nc1N1CCOc2c(C)cc(-c3ccc4nc(C)[nH]c4c3)cc2C1.Cc1cc(-c2ccc3c(c2)N=CC3)cc2c1OCCN(c1nc(N)nc(C)c1C(C)C)C2
• InChI: InChI=1S/C31H30FN5O.C30H36FN5O.C30H35N5O.C29H36N6O.C27H31N5O.C26H29N5O/c1-18-12-24(22-6-7-23-13-19(2)34-28(23)16-22)15-25-17-37(10-11-38-29(18)25)30-27(20(3)35-31(33)36-30)14-21-4-8-26(32)9-5-21;1-18(2)28-21(5)34-27(16-32-9-8-31)35-30(28)36-10-11-37-29-19(3)12-24(14-25(29)17-36)22-6-7-23-13-20(4)33-26(23)15-22;1-7-8-26-21(4)32-28(18-34(5)6)33-30(26)35-11-12-36-29-19(2)13-24(15-25(29)17-35)22-9-10-23-14-20(3)31-27(23)16-22;1-7-8-24-19(3)30-27(17-34(5)6)33-29(24)35-11-12-36-28-18(2)13-22(14-23(28)16-35)21-9-10-25-26(15-21)32-20(4)31-25;1-15(2)24-18(5)30-27(28)31-26(24)32-8-9-33-25-16(3)10-21(12-22(25)14-32)19-6-7-20-11-17(4)29-23(20)13-19;1-15(2)23-17(4)29-26(27)30-25(23)31-9-10-32-24-16(3)11-20(12-21(24)14-31)19-6-5-18-7-8-28-22(18)13-19/h4-9,12,15-16H,10-11,13-14,17H2,1-3H3,(H2,33,35,36);6-7,12,14-15,18,32H,8-11,13,16-17H2,1-5H3;7,9-10,13,15-16H,1,8,11-12,14,17-18H2,2-6H3;9-10,13-15H,7-8,11-12,16-17H2,1-6H3,(H,31,32);6-7,10,12-13,15H,8-9,11,14H2,1-5H3,(H2,28,30,31);5-6,8,11-13,15H,7,9-10,14H2,1-4H3,(H2,27,29,30)
• InChIKey: UAMSAFNANSXSRR-UHFFFAOYSA-N
• XLogP: 33.70
• TPSA: 416.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 29
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2844.69
LogP ≤ 5	33.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propylpyrimidin-2-yl]methanamine;N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-prop-2-enylpyrimidin-2-yl]methanamine;2-fluoro-N-[[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-yl]methyl]ethanamine;5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;4-[7-(3H-indol-6-yl)-9-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-6-methyl-5-propan-2-ylpyrimidin-2-amine;4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-amine?

The IUPAC name of N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propylpyrimidin-2-yl]methanamine;N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-prop-2-enylpyrimidin-2-yl]methanamine;2-fluoro-N-[[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-yl]methyl]ethanamine;5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;4-[7-(3H-indol-6-yl)-9-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-6-methyl-5-propan-2-ylpyrimidin-2-amine;4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-amine (CID 161037985) is N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propylpyrimidin-2-yl]methanamine;N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-prop-2-enylpyrimidin-2-yl]methanamine;2-fluoro-N-[[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-yl]methyl]ethanamine;5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;4-[7-(3H-indol-6-yl)-9-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-6-methyl-5-propan-2-ylpyrimidin-2-amine;4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-amine.

What is the SMILES notation for N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propylpyrimidin-2-yl]methanamine;N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-prop-2-enylpyrimidin-2-yl]methanamine;2-fluoro-N-[[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-yl]methyl]ethanamine;5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;4-[7-(3H-indol-6-yl)-9-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-6-methyl-5-propan-2-ylpyrimidin-2-amine;4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-amine?

The canonical SMILES for N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propylpyrimidin-2-yl]methanamine;N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-prop-2-enylpyrimidin-2-yl]methanamine;2-fluoro-N-[[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-yl]methyl]ethanamine;5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;4-[7-(3H-indol-6-yl)-9-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-6-methyl-5-propan-2-ylpyrimidin-2-amine;4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-amine is C=CCc1c(C)nc(CN(C)C)nc1N1CCOc2c(C)cc(-c3ccc4c(c3)N=C(C)C4)cc2C1.CC1=Nc2cc(-c3cc(C)c4c(c3)CN(c3nc(CNCCF)nc(C)c3C(C)C)CCO4)ccc2C1.CC1=Nc2cc(-c3cc(C)c4c(c3)CN(c3nc(N)nc(C)c3C(C)C)CCO4)ccc2C1.CC1=Nc2cc(-c3cc(C)c4c(c3)CN(c3nc(N)nc(C)c3Cc3ccc(F)cc3)CCO4)ccc2C1.CCCc1c(C)nc(CN(C)C)nc1N1CCOc2c(C)cc(-c3ccc4nc(C)[nH]c4c3)cc2C1.Cc1cc(-c2ccc3c(c2)N=CC3)cc2c1OCCN(c1nc(N)nc(C)c1C(C)C)C2.

What is the InChIKey of N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propylpyrimidin-2-yl]methanamine;N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-prop-2-enylpyrimidin-2-yl]methanamine;2-fluoro-N-[[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-yl]methyl]ethanamine;5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;4-[7-(3H-indol-6-yl)-9-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-6-methyl-5-propan-2-ylpyrimidin-2-amine;4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-amine?

The InChIKey is UAMSAFNANSXSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30FN5O.C30H36FN5O.C30H35N5O.C29H36N6O.C27H31N5O.C26H29N5O/c1-18-12-24(22-6-7-23-13-19(2)34-28(23)16-22)15-25-17-37(10-11-38-29(18)25)30-27(20(3)35-31(33)36-30)14-21-4-8-26(32)9-5-21;1-18(2)28-21(5)34-27(16-32-9-8-31)35-30(28)36-10-11-37-29-19(3)12-24(14-25(29)17-36)22-6-7-23-13-20(4)33-26(23)15-22;1-7-8-26-21(4)32-28(18-34(5)6)33-30(26)35-11-12-36-29-19(2)13-24(15-25(29)17-35)22-9-10-23-14-20(3)31-27(23)16-22;1-7-8-24-19(3)30-27(17-34(5)6)33-29(24)35-11-12-36-28-18(2)13-22(14-23(28)16-35)21-9-10-25-26(15-21)32-20(4)31-25;1-15(2)24-18(5)30-27(28)31-26(24)32-8-9-33-25-16(3)10-21(12-22(25)14-32)19-6-7-20-11-17(4)29-23(20)13-19;1-15(2)23-17(4)29-26(27)30-25(23)31-9-10-32-24-16(3)11-20(12-21(24)14-31)19-6-5-18-7-8-28-22(18)13-19/h4-9,12,15-16H,10-11,13-14,17H2,1-3H3,(H2,33,35,36);6-7,12,14-15,18,32H,8-11,13,16-17H2,1-5H3;7,9-10,13,15-16H,1,8,11-12,14,17-18H2,2-6H3;9-10,13-15H,7-8,11-12,16-17H2,1-6H3,(H,31,32);6-7,10,12-13,15H,8-9,11,14H2,1-5H3,(H2,28,30,31);5-6,8,11-13,15H,7,9-10,14H2,1-4H3,(H2,27,29,30).

What are the key properties of N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propylpyrimidin-2-yl]methanamine;N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-prop-2-enylpyrimidin-2-yl]methanamine;2-fluoro-N-[[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-yl]methyl]ethanamine;5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;4-[7-(3H-indol-6-yl)-9-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-6-methyl-5-propan-2-ylpyrimidin-2-amine;4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-amine?

N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propylpyrimidin-2-yl]methanamine;N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-prop-2-enylpyrimidin-2-yl]methanamine;2-fluoro-N-[[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-yl]methyl]ethanamine;5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;4-[7-(3H-indol-6-yl)-9-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-6-methyl-5-propan-2-ylpyrimidin-2-amine;4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-amine has a molecular weight of 2844.69 g/mol, XLogP of 33.70, 29 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propylpyrimidin-2-yl]methanamine;N,N-dimethyl-1-[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-prop-2-enylpyrimidin-2-yl]methanamine;2-fluoro-N-[[4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-yl]methyl]ethanamine;5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;4-[7-(3H-indol-6-yl)-9-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-6-methyl-5-propan-2-ylpyrimidin-2-amine;4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 161037985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).