6-amino-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-dione

C8H9N5O3 — CID 106402491

IUPAC6-amino-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-dione
SMILESNc1cc(=O)[nH]c(=O)n1CCc1ncno1
InChIInChI=1S/C8H9N5O3/c9-5-3-6(14)12-8(15)13(5)2-1-7-10-4-11-16-7/h3-4H,1-2,9H2,(H,12,14,15)
InChIKeyUXFGLAOYYUVYJV-UHFFFAOYSA-N
MW223.19 g/mol
LogP-1.26
Rot. Bonds3

About 6-amino-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-dione

6-amino-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 106402491) has the molecular formula C8H9N5O3 and a molecular weight of 223.19 g/mol. Its IUPAC name is 6-amino-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-dione
PubChem CID106402491
Molecular FormulaC8H9N5O3
Molecular Weight223.19 g/mol
Exact Mass223.07
IUPAC Name6-amino-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-dione
SMILESNc1cc(=O)[nH]c(=O)n1CCc1ncno1
InChIInChI=1S/C8H9N5O3/c9-5-3-6(14)12-8(15)13(5)2-1-7-10-4-11-16-7/h3-4H,1-2,9H2,(H,12,14,15)
InChIKeyUXFGLAOYYUVYJV-UHFFFAOYSA-N
XLogP-1.26
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-Ethyl-1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103744237
6-Amino-1-butyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione
CID 103744373
6-Amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione
CID 103744379
6-Amino-1-ethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione
CID 103744396
6-Amino-1-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione
CID 103744416
1,3-Dimethyl-5-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione
CID 103744522
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide
CID 106395526
1,3-Dimethyl-6-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione
CID 106399805
6-Amino-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-dione
CID 106402494
6-Amino-3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione
CID 106404065
1-[2-(1,2,4-Oxadiazol-5-yl)ethyl]-2-sulfanylidenepyrimidin-4-one
CID 106408003
1-[2-(1,2,4-Oxadiazol-5-yl)ethyl]-1,3-diazinane-2,4-dione
CID 106409945

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-dione (CID 106402491) is 6-amino-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-dione is Nc1cc(=O)[nH]c(=O)n1CCc1ncno1.
What is the InChIKey of 6-amino-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is UXFGLAOYYUVYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O3/c9-5-3-6(14)12-8(15)13(5)2-1-7-10-4-11-16-7/h3-4H,1-2,9H2,(H,12,14,15).
What are the key properties of 6-amino-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-dione?
6-amino-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 223.19 g/mol, XLogP of -1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 106402491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).