N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine

C₁₆H₂₇N₃O — CID 116778526

About N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine

N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine (PubChem CID 116778526) has the molecular formula C₁₆H₂₇N₃O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine.

Molecular Properties

• Compound Name: N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
• PubChem CID: 116778526
• Molecular Formula: C₁₆H₂₇N₃O
• Molecular Weight: 277.41 g/mol
• Exact Mass: 277.22
• IUPAC Name: N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
• SMILES: CCOC1(c2nccc(CNC(C)C)n2)CCCCC1
• InChI: InChI=1S/C16H27N3O/c1-4-20-16(9-6-5-7-10-16)15-17-11-8-14(19-15)12-18-13(2)3/h8,11,13,18H,4-7,9-10,12H2,1-3H3
• InChIKey: OUGFXLFTNUSXNP-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 47.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	277.41
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine?

The IUPAC name of N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine (CID 116778526) is N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine.

What is the SMILES notation for N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine?

The canonical SMILES for N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine is CCOC1(c2nccc(CNC(C)C)n2)CCCCC1.

What is the InChIKey of N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine?

The InChIKey is OUGFXLFTNUSXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-20-16(9-6-5-7-10-16)15-17-11-8-14(19-15)12-18-13(2)3/h8,11,13,18H,4-7,9-10,12H2,1-3H3.

What are the key properties of N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine?

N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 116778526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 116778526 — identifiers, structure, computed properties (public domain)

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