4-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)benzonitrile;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)benzonitrile;ethane;(4-isocyanophenyl)boronic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]benzonitrile;morpholine

C72H66BBr3Cl3N17O7S5 — CID 159039447

About 4-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)benzonitrile;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)benzonitrile;ethane;(4-isocyanophenyl)boronic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]benzonitrile;morpholine

4-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)benzonitrile;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)benzonitrile;ethane;(4-isocyanophenyl)boronic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]benzonitrile;morpholine (PubChem CID 159039447) has the molecular formula C72H66BBr3Cl3N17O7S5 and a molecular weight of 1798.65 g/mol. Its IUPAC name is 4-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)benzonitrile;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)benzonitrile;ethane;(4-isocyanophenyl)boronic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]benzonitrile;morpholine.

Molecular Properties

• Compound Name: 4-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)benzonitrile;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)benzonitrile;ethane;(4-isocyanophenyl)boronic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]benzonitrile;morpholine
• PubChem CID: 159039447
• Molecular Formula: C72H66BBr3Cl3N17O7S5
• Molecular Weight: 1798.65 g/mol
• Exact Mass: 1793.06
• IUPAC Name: 4-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)benzonitrile;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)benzonitrile;ethane;(4-isocyanophenyl)boronic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]benzonitrile;morpholine
• SMILES: C1COCCN1.CC.CS(=O)(=O)N1CCN(Cc2csc3c(-c4ccc(C#N)cc4)nc(N4CCOCC4)nc23)CC1.Clc1nc(Cl)c2scc(Br)c2n1.N#Cc1ccc(-c2nc(Cl)nc3c(Br)csc23)cc1.N#Cc1ccc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1.[C-]#[N+]c1ccc(B(O)O)cc1
• InChI: InChI=1S/C23H26N6O3S2.C17H13BrN4OS.C13H5BrClN3S.C7H6BNO2.C6HBrCl2N2S.C4H9NO.C2H6/c1-34(30,31)29-8-6-27(7-9-29)15-19-16-33-22-20(18-4-2-17(14-24)3-5-18)25-23(26-21(19)22)28-10-12-32-13-11-28;18-13-10-24-16-14(12-3-1-11(9-19)2-4-12)20-17(21-15(13)16)22-5-7-23-8-6-22;14-9-6-19-12-10(17-13(15)18-11(9)12)8-3-1-7(5-16)2-4-8;1-9-7-4-2-6(3-5-7)8(10)11;7-2-1-12-4-3(2)10-6(9)11-5(4)8;1-3-6-4-2-5-1;1-2/h2-5,16H,6-13,15H2,1H3;1-4,10H,5-8H2;1-4,6H;2-5,10-11H;1H;5H,1-4H2;1-2H3
• InChIKey: JVWFITRLUXGECL-UHFFFAOYSA-N
• XLogP: 14.93
• TPSA: 306.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 9
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1798.65
LogP ≤ 5	14.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)benzonitrile;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)benzonitrile;ethane;(4-isocyanophenyl)boronic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]benzonitrile;morpholine?

The IUPAC name of 4-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)benzonitrile;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)benzonitrile;ethane;(4-isocyanophenyl)boronic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]benzonitrile;morpholine (CID 159039447) is 4-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)benzonitrile;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)benzonitrile;ethane;(4-isocyanophenyl)boronic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]benzonitrile;morpholine.

What is the SMILES notation for 4-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)benzonitrile;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)benzonitrile;ethane;(4-isocyanophenyl)boronic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]benzonitrile;morpholine?

The canonical SMILES for 4-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)benzonitrile;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)benzonitrile;ethane;(4-isocyanophenyl)boronic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]benzonitrile;morpholine is C1COCCN1.CC.CS(=O)(=O)N1CCN(Cc2csc3c(-c4ccc(C#N)cc4)nc(N4CCOCC4)nc23)CC1.Clc1nc(Cl)c2scc(Br)c2n1.N#Cc1ccc(-c2nc(Cl)nc3c(Br)csc23)cc1.N#Cc1ccc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1.[C-]#[N+]c1ccc(B(O)O)cc1.

What is the InChIKey of 4-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)benzonitrile;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)benzonitrile;ethane;(4-isocyanophenyl)boronic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]benzonitrile;morpholine?

The InChIKey is JVWFITRLUXGECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3S2.C17H13BrN4OS.C13H5BrClN3S.C7H6BNO2.C6HBrCl2N2S.C4H9NO.C2H6/c1-34(30,31)29-8-6-27(7-9-29)15-19-16-33-22-20(18-4-2-17(14-24)3-5-18)25-23(26-21(19)22)28-10-12-32-13-11-28;18-13-10-24-16-14(12-3-1-11(9-19)2-4-12)20-17(21-15(13)16)22-5-7-23-8-6-22;14-9-6-19-12-10(17-13(15)18-11(9)12)8-3-1-7(5-16)2-4-8;1-9-7-4-2-6(3-5-7)8(10)11;7-2-1-12-4-3(2)10-6(9)11-5(4)8;1-3-6-4-2-5-1;1-2/h2-5,16H,6-13,15H2,1H3;1-4,10H,5-8H2;1-4,6H;2-5,10-11H;1H;5H,1-4H2;1-2H3.

What are the key properties of 4-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)benzonitrile;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)benzonitrile;ethane;(4-isocyanophenyl)boronic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]benzonitrile;morpholine?

4-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)benzonitrile;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)benzonitrile;ethane;(4-isocyanophenyl)boronic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]benzonitrile;morpholine has a molecular weight of 1798.65 g/mol, XLogP of 14.93, 9 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)benzonitrile;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)benzonitrile;ethane;(4-isocyanophenyl)boronic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]benzonitrile;morpholine is sourced from PubChem (CID 159039447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).