4-amino-2-butoxy-9-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-9-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-9-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,8-dihydropyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropane]-6-one;11-amino-13-butoxy-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,9,12,14-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-8-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane

C152H222ClF3N36O13 — CID 159784215

About 4-amino-2-butoxy-9-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-9-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-9-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,8-dihydropyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropane]-6-one;11-amino-13-butoxy-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,9,12,14-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-8-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane

4-amino-2-butoxy-9-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-9-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-9-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,8-dihydropyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropane]-6-one;11-amino-13-butoxy-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,9,12,14-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-8-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane (PubChem CID 159784215) has the molecular formula C152H222ClF3N36O13 and a molecular weight of 2854.13 g/mol. Its IUPAC name is 4-amino-2-butoxy-9-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-9-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-9-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,8-dihydropyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropane]-6-one;11-amino-13-butoxy-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,9,12,14-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-8-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane.

Molecular Properties

• Compound Name: 4-amino-2-butoxy-9-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-9-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-9-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,8-dihydropyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropane]-6-one;11-amino-13-butoxy-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,9,12,14-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-8-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane
• PubChem CID: 159784215
• Molecular Formula: C152H222ClF3N36O13
• Molecular Weight: 2854.13 g/mol
• Exact Mass: 2851.75
• IUPAC Name: 4-amino-2-butoxy-9-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-9-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-9-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,8-dihydropyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropane]-6-one;11-amino-13-butoxy-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,9,12,14-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-8-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane
• SMILES: C.C.C.C.C.C.CCCCOc1nc(N)c2c(n1)N(Cc1cc(CN3CCCC3)cc(C(F)(F)F)c1)CCC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1cc(Cl)cc(CN3CCCC3)c1)CCC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc(CN3CCCC3)cc1)CCC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN(CC3CC3)C(C)=O)c1)CCC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)C1CCCC1C(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC1(CC1)C(=O)N2
• InChI: InChI=1S/C26H36N6O2.C25H34N6O3.C25H34N6O2.C24H31F3N6O2.C23H31ClN6O2.C23H32N6O2.6CH4/c1-2-3-14-34-26-29-23(27)22-24(30-26)32(21-11-7-10-20(21)25(33)28-22)17-19-9-6-8-18(15-19)16-31-12-4-5-13-31;1-3-4-12-34-25-28-23(26)22-24(29-25)30(11-10-21(33)27-22)15-19-6-5-7-20(13-19)16-31(17(2)32)14-18-8-9-18;1-2-3-13-33-24-28-21(26)20-22(29-24)31(17-25(9-10-25)23(32)27-20)16-19-8-6-7-18(14-19)15-30-11-4-5-12-30;1-2-3-10-35-23-30-21(28)20-22(31-23)33(9-6-19(34)29-20)15-17-11-16(14-32-7-4-5-8-32)12-18(13-17)24(25,26)27;1-2-3-10-32-23-27-21(25)20-22(28-23)30(9-6-19(31)26-20)15-17-11-16(12-18(24)13-17)14-29-7-4-5-8-29;1-2-3-14-31-23-26-21(24)20-22(27-23)29(13-10-19(30)25-20)16-18-8-6-17(7-9-18)15-28-11-4-5-12-28;;;;;;/h6,8-9,15,20-21H,2-5,7,10-14,16-17H2,1H3,(H,28,33)(H2,27,29,30);5-7,13,18H,3-4,8-12,14-16H2,1-2H3,(H,27,33)(H2,26,28,29);6-8,14H,2-5,9-13,15-17H2,1H3,(H,27,32)(H2,26,28,29);11-13H,2-10,14-15H2,1H3,(H,29,34)(H2,28,30,31);11-13H,2-10,14-15H2,1H3,(H,26,31)(H2,25,27,28);6-9H,2-5,10-16H2,1H3,(H,25,30)(H2,24,26,27);6*1H4
• InChIKey: NHTCYERILGYQOB-UHFFFAOYSA-N
• XLogP: 25.91
• TPSA: 596.73 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 42
• Rotatable Bonds: 50
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2854.13
LogP ≤ 5	25.91
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-butoxy-9-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-9-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-9-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,8-dihydropyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropane]-6-one;11-amino-13-butoxy-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,9,12,14-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-8-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane?

The IUPAC name of 4-amino-2-butoxy-9-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-9-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-9-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,8-dihydropyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropane]-6-one;11-amino-13-butoxy-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,9,12,14-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-8-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane (CID 159784215) is 4-amino-2-butoxy-9-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-9-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-9-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,8-dihydropyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropane]-6-one;11-amino-13-butoxy-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,9,12,14-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-8-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane.

What is the SMILES notation for 4-amino-2-butoxy-9-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-9-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-9-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,8-dihydropyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropane]-6-one;11-amino-13-butoxy-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,9,12,14-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-8-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane?

The canonical SMILES for 4-amino-2-butoxy-9-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-9-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-9-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,8-dihydropyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropane]-6-one;11-amino-13-butoxy-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,9,12,14-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-8-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane is C.C.C.C.C.C.CCCCOc1nc(N)c2c(n1)N(Cc1cc(CN3CCCC3)cc(C(F)(F)F)c1)CCC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1cc(Cl)cc(CN3CCCC3)c1)CCC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc(CN3CCCC3)cc1)CCC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN(CC3CC3)C(C)=O)c1)CCC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)C1CCCC1C(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC1(CC1)C(=O)N2.

What is the InChIKey of 4-amino-2-butoxy-9-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-9-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-9-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,8-dihydropyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropane]-6-one;11-amino-13-butoxy-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,9,12,14-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-8-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane?

The InChIKey is NHTCYERILGYQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2.C25H34N6O3.C25H34N6O2.C24H31F3N6O2.C23H31ClN6O2.C23H32N6O2.6CH4/c1-2-3-14-34-26-29-23(27)22-24(30-26)32(21-11-7-10-20(21)25(33)28-22)17-19-9-6-8-18(15-19)16-31-12-4-5-13-31;1-3-4-12-34-25-28-23(26)22-24(29-25)30(11-10-21(33)27-22)15-19-6-5-7-20(13-19)16-31(17(2)32)14-18-8-9-18;1-2-3-13-33-24-28-21(26)20-22(29-24)31(17-25(9-10-25)23(32)27-20)16-19-8-6-7-18(14-19)15-30-11-4-5-12-30;1-2-3-10-35-23-30-21(28)20-22(31-23)33(9-6-19(34)29-20)15-17-11-16(14-32-7-4-5-8-32)12-18(13-17)24(25,26)27;1-2-3-10-32-23-27-21(25)20-22(28-23)30(9-6-19(31)26-20)15-17-11-16(12-18(24)13-17)14-29-7-4-5-8-29;1-2-3-14-31-23-26-21(24)20-22(27-23)29(13-10-19(30)25-20)16-18-8-6-17(7-9-18)15-28-11-4-5-12-28;;;;;;/h6,8-9,15,20-21H,2-5,7,10-14,16-17H2,1H3,(H,28,33)(H2,27,29,30);5-7,13,18H,3-4,8-12,14-16H2,1-2H3,(H,27,33)(H2,26,28,29);6-8,14H,2-5,9-13,15-17H2,1H3,(H,27,32)(H2,26,28,29);11-13H,2-10,14-15H2,1H3,(H,29,34)(H2,28,30,31);11-13H,2-10,14-15H2,1H3,(H,26,31)(H2,25,27,28);6-9H,2-5,10-16H2,1H3,(H,25,30)(H2,24,26,27);6*1H4.

What are the key properties of 4-amino-2-butoxy-9-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-9-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-9-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,8-dihydropyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropane]-6-one;11-amino-13-butoxy-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,9,12,14-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-8-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane?

4-amino-2-butoxy-9-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-9-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-9-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,8-dihydropyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropane]-6-one;11-amino-13-butoxy-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,9,12,14-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-8-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane has a molecular weight of 2854.13 g/mol, XLogP of 25.91, 50 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-butoxy-9-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-9-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-9-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,8-dihydropyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropane]-6-one;11-amino-13-butoxy-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,9,12,14-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-8-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane is sourced from PubChem (CID 159784215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).