N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine

C₁₄H₁₈N₄O — CID 60875696

About N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine

N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine (PubChem CID 60875696) has the molecular formula C₁₄H₁₈N₄O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine
• PubChem CID: 60875696
• Molecular Formula: C₁₄H₁₈N₄O
• Molecular Weight: 258.32 g/mol
• Exact Mass: 258.15
• IUPAC Name: N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine
• SMILES: CCN(Cc1ccc(N)cc1)c1nccc(OC)n1
• InChI: InChI=1S/C14H18N4O/c1-3-18(10-11-4-6-12(15)7-5-11)14-16-9-8-13(17-14)19-2/h4-9H,3,10,15H2,1-2H3
• InChIKey: APFGHNLNSVZNNO-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 64.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	258.32
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine?

The IUPAC name of N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine (CID 60875696) is N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine.

What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine?

The canonical SMILES for N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine is CCN(Cc1ccc(N)cc1)c1nccc(OC)n1.

What is the InChIKey of N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine?

The InChIKey is APFGHNLNSVZNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-18(10-11-4-6-12(15)7-5-11)14-16-9-8-13(17-14)19-2/h4-9H,3,10,15H2,1-2H3.

What are the key properties of N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine?

N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine has a molecular weight of 258.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 60875696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 60875696 — identifiers, structure, computed properties (public domain)

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