N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine

C₁₆H₂₄N₄S — CID 115309025

About N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine

N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 115309025) has the molecular formula C₁₆H₂₄N₄S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 115309025
• Molecular Formula: C₁₆H₂₄N₄S
• Molecular Weight: 304.46 g/mol
• Exact Mass: 304.17
• IUPAC Name: N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
• SMILES: CCc1cc2c(NC3(CN)CCCCC3C)ncnc2s1
• InChI: InChI=1S/C16H24N4S/c1-3-12-8-13-14(18-10-19-15(13)21-12)20-16(9-17)7-5-4-6-11(16)2/h8,10-11H,3-7,9,17H2,1-2H3,(H,18,19,20)
• InChIKey: BBLPXNMYZANRHK-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 63.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.46
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine (CID 115309025) is N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NC3(CN)CCCCC3C)ncnc2s1.

What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?

The InChIKey is BBLPXNMYZANRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-3-12-8-13-14(18-10-19-15(13)21-12)20-16(9-17)7-5-4-6-11(16)2/h8,10-11H,3-7,9,17H2,1-2H3,(H,18,19,20).

What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?

N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 304.46 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 115309025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115309025 — identifiers, structure, computed properties (public domain)

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