N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]ethanamine

C11H19N3O — CID 62747917

IUPACN-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCCOCc1nccc(CNCC)n1
InChIInChI=1S/C11H19N3O/c1-3-7-15-9-11-13-6-5-10(14-11)8-12-4-2/h5-6,12H,3-4,7-9H2,1-2H3
InChIKeyITOBJAKGYUOZEI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.51
Rot. Bonds7

About N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]ethanamine

N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]ethanamine (PubChem CID 62747917) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]ethanamine
PubChem CID62747917
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCCOCc1nccc(CNCC)n1
InChIInChI=1S/C11H19N3O/c1-3-7-15-9-11-13-6-5-10(14-11)8-12-4-2/h5-6,12H,3-4,7-9H2,1-2H3
InChIKeyITOBJAKGYUOZEI-UHFFFAOYSA-N
XLogP1.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]ethanamine (CID 62747917) is N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]ethanamine is CCCOCc1nccc(CNCC)n1.
What is the InChIKey of N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is ITOBJAKGYUOZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-7-15-9-11-13-6-5-10(14-11)8-12-4-2/h5-6,12H,3-4,7-9H2,1-2H3.
What are the key properties of N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]ethanamine?
N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 62747917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).