N-(2-methoxyethyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine

C20H25N7OS — CID 164585093

About N-(2-methoxyethyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine

N-(2-methoxyethyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 164585093) has the molecular formula C20H25N7OS and a molecular weight of 411.54 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 164585093
• Molecular Formula: C20H25N7OS
• Molecular Weight: 411.54 g/mol
• Exact Mass: 411.18
• IUPAC Name: N-(2-methoxyethyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
• SMILES: COCCNc1nc(-c2nccn2C)nc2sc(-c3ccn(C(C)C)n3)c(C)c12
• InChI: InChI=1S/C20H25N7OS/c1-12(2)27-9-6-14(25-27)16-13(3)15-17(21-8-11-28-5)23-18(24-20(15)29-16)19-22-7-10-26(19)4/h6-7,9-10,12H,8,11H2,1-5H3,(H,21,23,24)
• InChIKey: VOKDOUKZVCPCEQ-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 82.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.54
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of N-(2-methoxyethyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine (CID 164585093) is N-(2-methoxyethyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-(2-methoxyethyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-(2-methoxyethyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine is COCCNc1nc(-c2nccn2C)nc2sc(-c3ccn(C(C)C)n3)c(C)c12.

What is the InChIKey of N-(2-methoxyethyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is VOKDOUKZVCPCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7OS/c1-12(2)27-9-6-14(25-27)16-13(3)15-17(21-8-11-28-5)23-18(24-20(15)29-16)19-22-7-10-26(19)4/h6-7,9-10,12H,8,11H2,1-5H3,(H,21,23,24).

What are the key properties of N-(2-methoxyethyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?

N-(2-methoxyethyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 411.54 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 164585093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).