N-[[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine

C14H24N4O2 — CID 66318798

IUPACN-[[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine
SMILESCCOc1cc(N2CCCC2CNCCOC)ncn1
InChIInChI=1S/C14H24N4O2/c1-3-20-14-9-13(16-11-17-14)18-7-4-5-12(18)10-15-6-8-19-2/h9,11-12,15H,3-8,10H2,1-2H3
InChIKeyDPBIGUBWYKQBHY-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.08
Rot. Bonds8

About N-[[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine

N-[[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine (PubChem CID 66318798) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine
PubChem CID66318798
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-[[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine
SMILESCCOc1cc(N2CCCC2CNCCOC)ncn1
InChIInChI=1S/C14H24N4O2/c1-3-20-14-9-13(16-11-17-14)18-7-4-5-12(18)10-15-6-8-19-2/h9,11-12,15H,3-8,10H2,1-2H3
InChIKeyDPBIGUBWYKQBHY-UHFFFAOYSA-N
XLogP1.08
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine (CID 66318798) is N-[[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine is CCOc1cc(N2CCCC2CNCCOC)ncn1.
What is the InChIKey of N-[[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is DPBIGUBWYKQBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-20-14-9-13(16-11-17-14)18-7-4-5-12(18)10-15-6-8-19-2/h9,11-12,15H,3-8,10H2,1-2H3.
What are the key properties of N-[[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine?
N-[[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 280.37 g/mol, XLogP of 1.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 66318798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).