(4-amino-2-benzyl-5-methylthieno[2,3-d]pyrimidin-6-yl)-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone

C26H24N6OS — CID 166340718

About (4-amino-2-benzyl-5-methylthieno[2,3-d]pyrimidin-6-yl)-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone

(4-amino-2-benzyl-5-methylthieno[2,3-d]pyrimidin-6-yl)-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 166340718) has the molecular formula C26H24N6OS and a molecular weight of 468.59 g/mol. Its IUPAC name is (4-amino-2-benzyl-5-methylthieno[2,3-d]pyrimidin-6-yl)-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-amino-2-benzyl-5-methylthieno[2,3-d]pyrimidin-6-yl)-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
• PubChem CID: 166340718
• Molecular Formula: C26H24N6OS
• Molecular Weight: 468.59 g/mol
• Exact Mass: 468.17
• IUPAC Name: (4-amino-2-benzyl-5-methylthieno[2,3-d]pyrimidin-6-yl)-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
• SMILES: Cc1c(C(=O)N2CCCC2c2nc3ccccc3[nH]2)sc2nc(Cc3ccccc3)nc(N)c12
• InChI: InChI=1S/C26H24N6OS/c1-15-21-23(27)30-20(14-16-8-3-2-4-9-16)31-25(21)34-22(15)26(33)32-13-7-12-19(32)24-28-17-10-5-6-11-18(17)29-24/h2-6,8-11,19H,7,12-14H2,1H3,(H,28,29)(H2,27,30,31)
• InChIKey: SPKHSPRLVBGMTI-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 100.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.59
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-benzyl-5-methylthieno[2,3-d]pyrimidin-6-yl)-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone?

The IUPAC name of (4-amino-2-benzyl-5-methylthieno[2,3-d]pyrimidin-6-yl)-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone (CID 166340718) is (4-amino-2-benzyl-5-methylthieno[2,3-d]pyrimidin-6-yl)-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for (4-amino-2-benzyl-5-methylthieno[2,3-d]pyrimidin-6-yl)-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone?

The canonical SMILES for (4-amino-2-benzyl-5-methylthieno[2,3-d]pyrimidin-6-yl)-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone is Cc1c(C(=O)N2CCCC2c2nc3ccccc3[nH]2)sc2nc(Cc3ccccc3)nc(N)c12.

What is the InChIKey of (4-amino-2-benzyl-5-methylthieno[2,3-d]pyrimidin-6-yl)-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone?

The InChIKey is SPKHSPRLVBGMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6OS/c1-15-21-23(27)30-20(14-16-8-3-2-4-9-16)31-25(21)34-22(15)26(33)32-13-7-12-19(32)24-28-17-10-5-6-11-18(17)29-24/h2-6,8-11,19H,7,12-14H2,1H3,(H,28,29)(H2,27,30,31).

What are the key properties of (4-amino-2-benzyl-5-methylthieno[2,3-d]pyrimidin-6-yl)-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone?

(4-amino-2-benzyl-5-methylthieno[2,3-d]pyrimidin-6-yl)-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 468.59 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4-amino-2-benzyl-5-methylthieno[2,3-d]pyrimidin-6-yl)-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166340718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).