3-[2-(2-aminophenoxy)ethyl]-1-methylpyrimidine-2,4-dione

C13H15N3O3 — CID 63799617

IUPAC3-[2-(2-aminophenoxy)ethyl]-1-methylpyrimidine-2,4-dione
SMILESCn1ccc(=O)n(CCOc2ccccc2N)c1=O
InChIInChI=1S/C13H15N3O3/c1-15-7-6-12(17)16(13(15)18)8-9-19-11-5-3-2-4-10(11)14/h2-7H,8-9,14H2,1H3
InChIKeyUKCJKWRTBPRPIP-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.21
Rot. Bonds4

About 3-[2-(2-aminophenoxy)ethyl]-1-methylpyrimidine-2,4-dione

3-[2-(2-aminophenoxy)ethyl]-1-methylpyrimidine-2,4-dione (PubChem CID 63799617) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-[2-(2-aminophenoxy)ethyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-aminophenoxy)ethyl]-1-methylpyrimidine-2,4-dione
PubChem CID63799617
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-[2-(2-aminophenoxy)ethyl]-1-methylpyrimidine-2,4-dione
SMILESCn1ccc(=O)n(CCOc2ccccc2N)c1=O
InChIInChI=1S/C13H15N3O3/c1-15-7-6-12(17)16(13(15)18)8-9-19-11-5-3-2-4-10(11)14/h2-7H,8-9,14H2,1H3
InChIKeyUKCJKWRTBPRPIP-UHFFFAOYSA-N
XLogP0.21
TPSA79.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one
CID 80579090
1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione
CID 112547602
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylpyrimidine-2,4-dione
CID 104567364
2-[2-(3-ethyl-2,6-dioxopyrimidin-1-yl)ethoxy]benzonitrile
CID 63800667
1-[3-(2-aminophenoxy)propyl]-4-methylpyrazine-2,3-dione
CID 62928552
1-[3-(2-aminophenoxy)propyl]-3-propan-2-ylimidazol-2-one
CID 80579728
3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione
CID 43365808
3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanethioamide
CID 63800675
3-[2-(2-aminophenoxy)ethyl]imidazolidine-2,4-dione
CID 43365663
2-[2-(3,3-dimethoxyazetidin-1-yl)ethoxy]aniline
CID 79688995
2-[2-(3-methyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide
CID 80582813
4-[2-(2-methoxyphenoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-one
CID 100673006

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminophenoxy)ethyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[2-(2-aminophenoxy)ethyl]-1-methylpyrimidine-2,4-dione (CID 63799617) is 3-[2-(2-aminophenoxy)ethyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-(2-aminophenoxy)ethyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[2-(2-aminophenoxy)ethyl]-1-methylpyrimidine-2,4-dione is Cn1ccc(=O)n(CCOc2ccccc2N)c1=O.
What is the InChIKey of 3-[2-(2-aminophenoxy)ethyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is UKCJKWRTBPRPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-15-7-6-12(17)16(13(15)18)8-9-19-11-5-3-2-4-10(11)14/h2-7H,8-9,14H2,1H3.
What are the key properties of 3-[2-(2-aminophenoxy)ethyl]-1-methylpyrimidine-2,4-dione?
3-[2-(2-aminophenoxy)ethyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 261.28 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminophenoxy)ethyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 63799617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).