2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol

C35H39BrN10O6S3 — CID 158195964

About 2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol

2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol (PubChem CID 158195964) has the molecular formula C35H39BrN10O6S3 and a molecular weight of 871.87 g/mol. Its IUPAC name is 2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol
• PubChem CID: 158195964
• Molecular Formula: C35H39BrN10O6S3
• Molecular Weight: 871.87 g/mol
• Exact Mass: 870.14
• IUPAC Name: 2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol
• SMILES: COc1cc(OCCCS(C)(=O)=O)ccc1-c1c(C)sc2cnc(Nc3cnn(CCO)c3)nc12.Cc1sc2cnc(Nc3cnn(CCO)c3)nc2c1Br
• InChI: InChI=1S/C23H27N5O5S2.C12H12BrN5OS/c1-15-21(18-6-5-17(11-19(18)32-2)33-9-4-10-35(3,30)31)22-20(34-15)13-24-23(27-22)26-16-12-25-28(14-16)7-8-29;1-7-10(13)11-9(20-7)5-14-12(17-11)16-8-4-15-18(6-8)2-3-19/h5-6,11-14,29H,4,7-10H2,1-3H3,(H,24,26,27);4-6,19H,2-3H2,1H3,(H,14,16,17)
• InChIKey: GAINSFAKMAMVMK-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 204.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	871.87
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol?

The IUPAC name of 2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol (CID 158195964) is 2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol.

What is the SMILES notation for 2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol?

The canonical SMILES for 2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol is COc1cc(OCCCS(C)(=O)=O)ccc1-c1c(C)sc2cnc(Nc3cnn(CCO)c3)nc12.Cc1sc2cnc(Nc3cnn(CCO)c3)nc2c1Br.

What is the InChIKey of 2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol?

The InChIKey is GAINSFAKMAMVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O5S2.C12H12BrN5OS/c1-15-21(18-6-5-17(11-19(18)32-2)33-9-4-10-35(3,30)31)22-20(34-15)13-24-23(27-22)26-16-12-25-28(14-16)7-8-29;1-7-10(13)11-9(20-7)5-14-12(17-11)16-8-4-15-18(6-8)2-3-19/h5-6,11-14,29H,4,7-10H2,1-3H3,(H,24,26,27);4-6,19H,2-3H2,1H3,(H,14,16,17).

What are the key properties of 2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol?

2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol has a molecular weight of 871.87 g/mol, XLogP of 6.12, 15 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 158195964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).