2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine

C₁₂H₁₈N₄S — CID 113426513

About 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine

2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine (PubChem CID 113426513) has the molecular formula C₁₂H₁₈N₄S and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

• Compound Name: 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine
• PubChem CID: 113426513
• Molecular Formula: C₁₂H₁₈N₄S
• Molecular Weight: 250.37 g/mol
• Exact Mass: 250.13
• IUPAC Name: 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine
• SMILES: CCc1cc2c(N(C)C(C)CN)ncnc2s1
• InChI: InChI=1S/C12H18N4S/c1-4-9-5-10-11(16(3)8(2)6-13)14-7-15-12(10)17-9/h5,7-8H,4,6,13H2,1-3H3
• InChIKey: PEUXJZGPNJFJMF-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 55.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	250.37
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine?

The IUPAC name of 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine (CID 113426513) is 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine.

What is the SMILES notation for 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine?

The canonical SMILES for 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine is CCc1cc2c(N(C)C(C)CN)ncnc2s1.

What is the InChIKey of 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine?

The InChIKey is PEUXJZGPNJFJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-4-9-5-10-11(16(3)8(2)6-13)14-7-15-12(10)17-9/h5,7-8H,4,6,13H2,1-3H3.

What are the key properties of 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine?

2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine has a molecular weight of 250.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 113426513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 113426513 — identifiers, structure, computed properties (public domain)

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