3-(4-amino-3-ethoxybutyl)-6-methylpyrimidin-4-one

C11H19N3O2 — CID 63071237

IUPAC3-(4-amino-3-ethoxybutyl)-6-methylpyrimidin-4-one
SMILESCCOC(CN)CCn1cnc(C)cc1=O
InChIInChI=1S/C11H19N3O2/c1-3-16-10(7-12)4-5-14-8-13-9(2)6-11(14)15/h6,8,10H,3-5,7,12H2,1-2H3
InChIKeyIGUFYTRYOYISJB-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.31
Rot. Bonds6

About 3-(4-amino-3-ethoxybutyl)-6-methylpyrimidin-4-one

3-(4-amino-3-ethoxybutyl)-6-methylpyrimidin-4-one (PubChem CID 63071237) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(4-amino-3-ethoxybutyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(4-amino-3-ethoxybutyl)-6-methylpyrimidin-4-one
PubChem CID63071237
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-(4-amino-3-ethoxybutyl)-6-methylpyrimidin-4-one
SMILESCCOC(CN)CCn1cnc(C)cc1=O
InChIInChI=1S/C11H19N3O2/c1-3-16-10(7-12)4-5-14-8-13-9(2)6-11(14)15/h6,8,10H,3-5,7,12H2,1-2H3
InChIKeyIGUFYTRYOYISJB-UHFFFAOYSA-N
XLogP0.31
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-ethoxybutyl)-6-methylpyrimidin-4-one?
The IUPAC name of 3-(4-amino-3-ethoxybutyl)-6-methylpyrimidin-4-one (CID 63071237) is 3-(4-amino-3-ethoxybutyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-(4-amino-3-ethoxybutyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 3-(4-amino-3-ethoxybutyl)-6-methylpyrimidin-4-one is CCOC(CN)CCn1cnc(C)cc1=O.
What is the InChIKey of 3-(4-amino-3-ethoxybutyl)-6-methylpyrimidin-4-one?
The InChIKey is IGUFYTRYOYISJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-16-10(7-12)4-5-14-8-13-9(2)6-11(14)15/h6,8,10H,3-5,7,12H2,1-2H3.
What are the key properties of 3-(4-amino-3-ethoxybutyl)-6-methylpyrimidin-4-one?
3-(4-amino-3-ethoxybutyl)-6-methylpyrimidin-4-one has a molecular weight of 225.29 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-ethoxybutyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 63071237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).