6-amino-5-aminooxy-1,3-diethylpyrimidine-2,4-dione

C8H14N4O3 — CID 170672731

IUPAC6-amino-5-aminooxy-1,3-diethylpyrimidine-2,4-dione
SMILESCCn1c(N)c(ON)c(=O)n(CC)c1=O
InChIInChI=1S/C8H14N4O3/c1-3-11-6(9)5(15-10)7(13)12(4-2)8(11)14/h3-4,9-10H2,1-2H3
InChIKeyZYIVFLQCRCYGIR-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.12
Rot. Bonds3

About 6-amino-5-aminooxy-1,3-diethylpyrimidine-2,4-dione

6-amino-5-aminooxy-1,3-diethylpyrimidine-2,4-dione (PubChem CID 170672731) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-amino-5-aminooxy-1,3-diethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-aminooxy-1,3-diethylpyrimidine-2,4-dione
PubChem CID170672731
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name6-amino-5-aminooxy-1,3-diethylpyrimidine-2,4-dione
SMILESCCn1c(N)c(ON)c(=O)n(CC)c1=O
InChIInChI=1S/C8H14N4O3/c1-3-11-6(9)5(15-10)7(13)12(4-2)8(11)14/h3-4,9-10H2,1-2H3
InChIKeyZYIVFLQCRCYGIR-UHFFFAOYSA-N
XLogP-1.12
TPSA105.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-aminooxy-1,3-diethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-aminooxy-1,3-diethylpyrimidine-2,4-dione (CID 170672731) is 6-amino-5-aminooxy-1,3-diethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-aminooxy-1,3-diethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-aminooxy-1,3-diethylpyrimidine-2,4-dione is CCn1c(N)c(ON)c(=O)n(CC)c1=O.
What is the InChIKey of 6-amino-5-aminooxy-1,3-diethylpyrimidine-2,4-dione?
The InChIKey is ZYIVFLQCRCYGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-3-11-6(9)5(15-10)7(13)12(4-2)8(11)14/h3-4,9-10H2,1-2H3.
What are the key properties of 6-amino-5-aminooxy-1,3-diethylpyrimidine-2,4-dione?
6-amino-5-aminooxy-1,3-diethylpyrimidine-2,4-dione has a molecular weight of 214.22 g/mol, XLogP of -1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-aminooxy-1,3-diethylpyrimidine-2,4-dione is sourced from PubChem (CID 170672731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).