1-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-one

C12H21N3O2 — CID 62564669

IUPAC1-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-one
SMILESCOCCNCCCn1c(C)cc(C)nc1=O
InChIInChI=1S/C12H21N3O2/c1-10-9-11(2)15(12(16)14-10)7-4-5-13-6-8-17-3/h9,13H,4-8H2,1-3H3
InChIKeyJGLZTNCUMIDNGM-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.49
Rot. Bonds7

About 1-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-one

1-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 62564669) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-one
PubChem CID62564669
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-one
SMILESCOCCNCCCn1c(C)cc(C)nc1=O
InChIInChI=1S/C12H21N3O2/c1-10-9-11(2)15(12(16)14-10)7-4-5-13-6-8-17-3/h9,13H,4-8H2,1-3H3
InChIKeyJGLZTNCUMIDNGM-UHFFFAOYSA-N
XLogP0.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-one (CID 62564669) is 1-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-one is COCCNCCCn1c(C)cc(C)nc1=O.
What is the InChIKey of 1-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is JGLZTNCUMIDNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10-9-11(2)15(12(16)14-10)7-4-5-13-6-8-17-3/h9,13H,4-8H2,1-3H3.
What are the key properties of 1-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-one?
1-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 239.32 g/mol, XLogP of 0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 62564669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).