N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine

C₁₄H₂₅N₃O — CID 114217247

About N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine

N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 114217247) has the molecular formula C₁₄H₂₅N₃O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

• Compound Name: N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine
• PubChem CID: 114217247
• Molecular Formula: C₁₄H₂₅N₃O
• Molecular Weight: 251.37 g/mol
• Exact Mass: 251.20
• IUPAC Name: N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine
• SMILES: CCC(CC)COc1ncncc1CNC(C)C
• InChI: InChI=1S/C14H25N3O/c1-5-12(6-2)9-18-14-13(7-15-10-17-14)8-16-11(3)4/h7,10-12,16H,5-6,8-9H2,1-4H3
• InChIKey: XBCDPAVJWOWOBG-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 47.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	251.37
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine?

The IUPAC name of N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine (CID 114217247) is N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine.

What is the SMILES notation for N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine?

The canonical SMILES for N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine is CCC(CC)COc1ncncc1CNC(C)C.

What is the InChIKey of N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine?

The InChIKey is XBCDPAVJWOWOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-12(6-2)9-18-14-13(7-15-10-17-14)8-16-11(3)4/h7,10-12,16H,5-6,8-9H2,1-4H3.

What are the key properties of N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine?

N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114217247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 114217247 — identifiers, structure, computed properties (public domain)

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