dichloromethane;5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine

C40H52Cl2N16O4S3 — CID 159463662

About dichloromethane;5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine

dichloromethane;5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 159463662) has the molecular formula C40H52Cl2N16O4S3 and a molecular weight of 988.07 g/mol. Its IUPAC name is dichloromethane;5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: dichloromethane;5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine
• PubChem CID: 159463662
• Molecular Formula: C40H52Cl2N16O4S3
• Molecular Weight: 988.07 g/mol
• Exact Mass: 986.29
• IUPAC Name: dichloromethane;5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine
• SMILES: CS(=O)(=O)N1CCN(Cc2csc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc23)CC1.ClCCl.Nc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCNCC4)csc23)cn1
• InChI: InChI=1S/C20H26N8O3S2.C19H24N8OS.CH2Cl2/c1-33(29,30)28-4-2-26(3-5-28)12-15-13-32-18-16(14-10-22-19(21)23-11-14)24-20(25-17(15)18)27-6-8-31-9-7-27;20-18-22-9-13(10-23-18)15-17-16(25-19(24-15)27-5-7-28-8-6-27)14(12-29-17)11-26-3-1-21-2-4-26;2-1-3/h10-11,13H,2-9,12H2,1H3,(H2,21,22,23);9-10,12,21H,1-8,11H2,(H2,20,22,23);1H2
• InChIKey: LUXDDCOOVPZBTD-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 235.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 9
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	988.07
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dichloromethane;5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine?

The IUPAC name of dichloromethane;5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine (CID 159463662) is dichloromethane;5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine.

What is the SMILES notation for dichloromethane;5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine?

The canonical SMILES for dichloromethane;5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine is CS(=O)(=O)N1CCN(Cc2csc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc23)CC1.ClCCl.Nc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCNCC4)csc23)cn1.

What is the InChIKey of dichloromethane;5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine?

The InChIKey is LUXDDCOOVPZBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O3S2.C19H24N8OS.CH2Cl2/c1-33(29,30)28-4-2-26(3-5-28)12-15-13-32-18-16(14-10-22-19(21)23-11-14)24-20(25-17(15)18)27-6-8-31-9-7-27;20-18-22-9-13(10-23-18)15-17-16(25-19(24-15)27-5-7-28-8-6-27)14(12-29-17)11-26-3-1-21-2-4-26;2-1-3/h10-11,13H,2-9,12H2,1H3,(H2,21,22,23);9-10,12,21H,1-8,11H2,(H2,20,22,23);1H2.

What are the key properties of dichloromethane;5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine?

dichloromethane;5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 988.07 g/mol, XLogP of 3.04, 9 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for dichloromethane;5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 159463662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).