7-bromo-2-chloro-4-pyrimidin-5-ylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine;ethane;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;pyrimidin-5-ylboronic acid

C60H62BBr3Cl3N21O7S5 — CID 158251319

About 7-bromo-2-chloro-4-pyrimidin-5-ylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine;ethane;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;pyrimidin-5-ylboronic acid

7-bromo-2-chloro-4-pyrimidin-5-ylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine;ethane;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;pyrimidin-5-ylboronic acid (PubChem CID 158251319) has the molecular formula C60H62BBr3Cl3N21O7S5 and a molecular weight of 1706.51 g/mol. Its IUPAC name is 7-bromo-2-chloro-4-pyrimidin-5-ylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine;ethane;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;pyrimidin-5-ylboronic acid.

Molecular Properties

• Compound Name: 7-bromo-2-chloro-4-pyrimidin-5-ylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine;ethane;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;pyrimidin-5-ylboronic acid
• PubChem CID: 158251319
• Molecular Formula: C60H62BBr3Cl3N21O7S5
• Molecular Weight: 1706.51 g/mol
• Exact Mass: 1701.05
• IUPAC Name: 7-bromo-2-chloro-4-pyrimidin-5-ylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine;ethane;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;pyrimidin-5-ylboronic acid
• SMILES: Brc1csc2c(-c3cncnc3)nc(N3CCOCC3)nc12.C1COCCN1.CC.CS(=O)(=O)N1CCN(Cc2csc3c(-c4cncnc4)nc(N4CCOCC4)nc23)CC1.Clc1nc(-c2cncnc2)c2scc(Br)c2n1.Clc1nc(Cl)c2scc(Br)c2n1.OB(O)c1cncnc1
• InChI: InChI=1S/C20H25N7O3S2.C14H12BrN5OS.C10H4BrClN4S.C6HBrCl2N2S.C4H5BN2O2.C4H9NO.C2H6/c1-32(28,29)27-4-2-25(3-5-27)12-16-13-31-19-17(15-10-21-14-22-11-15)23-20(24-18(16)19)26-6-8-30-9-7-26;15-10-7-22-13-11(9-5-16-8-17-6-9)18-14(19-12(10)13)20-1-3-21-4-2-20;11-6-3-17-9-7(5-1-13-4-14-2-5)15-10(12)16-8(6)9;7-2-1-12-4-3(2)10-6(9)11-5(4)8;8-5(9)4-1-6-3-7-2-4;1-3-6-4-2-5-1;1-2/h10-11,13-14H,2-9,12H2,1H3;5-8H,1-4H2;1-4H;1H;1-3,8-9H;5H,1-4H2;1-2H3
• InChIKey: GGTCDDNORPWEAL-UHFFFAOYSA-N
• XLogP: 9.92
• TPSA: 333.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 9
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1706.51
LogP ≤ 5	9.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloro-4-pyrimidin-5-ylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine;ethane;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;pyrimidin-5-ylboronic acid?

The IUPAC name of 7-bromo-2-chloro-4-pyrimidin-5-ylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine;ethane;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;pyrimidin-5-ylboronic acid (CID 158251319) is 7-bromo-2-chloro-4-pyrimidin-5-ylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine;ethane;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;pyrimidin-5-ylboronic acid.

What is the SMILES notation for 7-bromo-2-chloro-4-pyrimidin-5-ylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine;ethane;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;pyrimidin-5-ylboronic acid?

The canonical SMILES for 7-bromo-2-chloro-4-pyrimidin-5-ylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine;ethane;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;pyrimidin-5-ylboronic acid is Brc1csc2c(-c3cncnc3)nc(N3CCOCC3)nc12.C1COCCN1.CC.CS(=O)(=O)N1CCN(Cc2csc3c(-c4cncnc4)nc(N4CCOCC4)nc23)CC1.Clc1nc(-c2cncnc2)c2scc(Br)c2n1.Clc1nc(Cl)c2scc(Br)c2n1.OB(O)c1cncnc1.

What is the InChIKey of 7-bromo-2-chloro-4-pyrimidin-5-ylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine;ethane;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;pyrimidin-5-ylboronic acid?

The InChIKey is GGTCDDNORPWEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3S2.C14H12BrN5OS.C10H4BrClN4S.C6HBrCl2N2S.C4H5BN2O2.C4H9NO.C2H6/c1-32(28,29)27-4-2-25(3-5-27)12-16-13-31-19-17(15-10-21-14-22-11-15)23-20(24-18(16)19)26-6-8-30-9-7-26;15-10-7-22-13-11(9-5-16-8-17-6-9)18-14(19-12(10)13)20-1-3-21-4-2-20;11-6-3-17-9-7(5-1-13-4-14-2-5)15-10(12)16-8(6)9;7-2-1-12-4-3(2)10-6(9)11-5(4)8;8-5(9)4-1-6-3-7-2-4;1-3-6-4-2-5-1;1-2/h10-11,13-14H,2-9,12H2,1H3;5-8H,1-4H2;1-4H;1H;1-3,8-9H;5H,1-4H2;1-2H3.

What are the key properties of 7-bromo-2-chloro-4-pyrimidin-5-ylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine;ethane;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;pyrimidin-5-ylboronic acid?

7-bromo-2-chloro-4-pyrimidin-5-ylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine;ethane;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;pyrimidin-5-ylboronic acid has a molecular weight of 1706.51 g/mol, XLogP of 9.92, 9 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-chloro-4-pyrimidin-5-ylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-(7-bromo-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)morpholine;ethane;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine;pyrimidin-5-ylboronic acid is sourced from PubChem (CID 158251319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).