3-[2-(1-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine

C15H27N3O — CID 79605208

IUPAC3-[2-(1-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
SMILESCOC(C)c1nc(C)c(CCCNC(C)C)c(C)n1
InChIInChI=1S/C15H27N3O/c1-10(2)16-9-7-8-14-11(3)17-15(13(5)19-6)18-12(14)4/h10,13,16H,7-9H2,1-6H3
InChIKeyLODFFARZDWHNBF-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.73
Rot. Bonds7

About 3-[2-(1-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine

3-[2-(1-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 79605208) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[2-(1-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(1-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
PubChem CID79605208
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-[2-(1-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
SMILESCOC(C)c1nc(C)c(CCCNC(C)C)c(C)n1
InChIInChI=1S/C15H27N3O/c1-10(2)16-9-7-8-14-11(3)17-15(13(5)19-6)18-12(14)4/h10,13,16H,7-9H2,1-6H3
InChIKeyLODFFARZDWHNBF-UHFFFAOYSA-N
XLogP2.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.73
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 3-[2-(1-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[2-(1-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine (CID 79605208) is 3-[2-(1-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[2-(1-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[2-(1-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine is COC(C)c1nc(C)c(CCCNC(C)C)c(C)n1.
What is the InChIKey of 3-[2-(1-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is LODFFARZDWHNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-10(2)16-9-7-8-14-11(3)17-15(13(5)19-6)18-12(14)4/h10,13,16H,7-9H2,1-6H3.
What are the key properties of 3-[2-(1-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine?
3-[2-(1-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79605208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).