3-(3-amino-2-ethoxypropyl)-2,6-dimethylpyrimidin-4-one

C11H19N3O2 — CID 63768817

IUPAC3-(3-amino-2-ethoxypropyl)-2,6-dimethylpyrimidin-4-one
SMILESCCOC(CN)Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C11H19N3O2/c1-4-16-10(6-12)7-14-9(3)13-8(2)5-11(14)15/h5,10H,4,6-7,12H2,1-3H3
InChIKeyDCMKHONCHDJBQB-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.22
Rot. Bonds5

About 3-(3-amino-2-ethoxypropyl)-2,6-dimethylpyrimidin-4-one

3-(3-amino-2-ethoxypropyl)-2,6-dimethylpyrimidin-4-one (PubChem CID 63768817) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(3-amino-2-ethoxypropyl)-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-(3-amino-2-ethoxypropyl)-2,6-dimethylpyrimidin-4-one
PubChem CID63768817
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-(3-amino-2-ethoxypropyl)-2,6-dimethylpyrimidin-4-one
SMILESCCOC(CN)Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C11H19N3O2/c1-4-16-10(6-12)7-14-9(3)13-8(2)5-11(14)15/h5,10H,4,6-7,12H2,1-3H3
InChIKeyDCMKHONCHDJBQB-UHFFFAOYSA-N
XLogP0.22
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-ethoxypropyl)-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-(3-amino-2-ethoxypropyl)-2,6-dimethylpyrimidin-4-one (CID 63768817) is 3-(3-amino-2-ethoxypropyl)-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-(3-amino-2-ethoxypropyl)-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-(3-amino-2-ethoxypropyl)-2,6-dimethylpyrimidin-4-one is CCOC(CN)Cn1c(C)nc(C)cc1=O.
What is the InChIKey of 3-(3-amino-2-ethoxypropyl)-2,6-dimethylpyrimidin-4-one?
The InChIKey is DCMKHONCHDJBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-16-10(6-12)7-14-9(3)13-8(2)5-11(14)15/h5,10H,4,6-7,12H2,1-3H3.
What are the key properties of 3-(3-amino-2-ethoxypropyl)-2,6-dimethylpyrimidin-4-one?
3-(3-amino-2-ethoxypropyl)-2,6-dimethylpyrimidin-4-one has a molecular weight of 225.29 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-ethoxypropyl)-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63768817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).