N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine

C₁₂H₂₀N₄O — CID 114600387

About N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine

N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine (PubChem CID 114600387) has the molecular formula C₁₂H₂₀N₄O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine
• PubChem CID: 114600387
• Molecular Formula: C₁₂H₂₀N₄O
• Molecular Weight: 236.32 g/mol
• Exact Mass: 236.16
• IUPAC Name: N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine
• SMILES: CCN1CCC(CNc2ncc(OC)cn2)C1
• InChI: InChI=1S/C12H20N4O/c1-3-16-5-4-10(9-16)6-13-12-14-7-11(17-2)8-15-12/h7-8,10H,3-6,9H2,1-2H3,(H,13,14,15)
• InChIKey: CTNDQOKRWFTZOT-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 50.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	236.32
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine?

The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine (CID 114600387) is N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine.

What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine?

The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine is CCN1CCC(CNc2ncc(OC)cn2)C1.

What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine?

The InChIKey is CTNDQOKRWFTZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-16-5-4-10(9-16)6-13-12-14-7-11(17-2)8-15-12/h7-8,10H,3-6,9H2,1-2H3,(H,13,14,15).

What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine?

N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine is sourced from PubChem (CID 114600387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 114600387 — identifiers, structure, computed properties (public domain)

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