1-[2-(1-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine

C11H19N3O — CID 116731307

IUPAC1-[2-(1-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCCC(OC)c1ncc(C(C)N)c(C)n1
InChIInChI=1S/C11H19N3O/c1-5-10(15-4)11-13-6-9(7(2)12)8(3)14-11/h6-7,10H,5,12H2,1-4H3
InChIKeyXXYFAEXTEFPXBX-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.90
Rot. Bonds4

About 1-[2-(1-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine

1-[2-(1-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine (PubChem CID 116731307) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[2-(1-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(1-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine
PubChem CID116731307
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[2-(1-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCCC(OC)c1ncc(C(C)N)c(C)n1
InChIInChI=1S/C11H19N3O/c1-5-10(15-4)11-13-6-9(7(2)12)8(3)14-11/h6-7,10H,5,12H2,1-4H3
InChIKeyXXYFAEXTEFPXBX-UHFFFAOYSA-N
XLogP1.90
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine?
The IUPAC name of 1-[2-(1-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine (CID 116731307) is 1-[2-(1-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(1-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine?
The canonical SMILES for 1-[2-(1-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine is CCC(OC)c1ncc(C(C)N)c(C)n1.
What is the InChIKey of 1-[2-(1-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine?
The InChIKey is XXYFAEXTEFPXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-10(15-4)11-13-6-9(7(2)12)8(3)14-11/h6-7,10H,5,12H2,1-4H3.
What are the key properties of 1-[2-(1-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine?
1-[2-(1-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine is sourced from PubChem (CID 116731307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).