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

C10H14N6O3 — CID 103744396

IUPAC6-amino-1-ethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCCc2ncno2)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N6O3/c1-2-16-8(11)7(9(17)15-10(16)18)12-4-3-6-13-5-14-19-6/h5,12H,2-4,11H2,1H3,(H,15,17,18)
InChIKeyYTKVAWLYCXIEKD-UHFFFAOYSA-N
MW266.26 g/mol
LogP-0.82
Rot. Bonds5

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

6-amino-1-ethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione (PubChem CID 103744396) has the molecular formula C10H14N6O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione
PubChem CID103744396
Molecular FormulaC10H14N6O3
Molecular Weight266.26 g/mol
Exact Mass266.11
IUPAC Name6-amino-1-ethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCCc2ncno2)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N6O3/c1-2-16-8(11)7(9(17)15-10(16)18)12-4-3-6-13-5-14-19-6/h5,12H,2-4,11H2,1H3,(H,15,17,18)
InChIKeyYTKVAWLYCXIEKD-UHFFFAOYSA-N
XLogP-0.82
TPSA131.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-Amino-1-ethyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione
CID 103703174
6-Amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 103703203
2-(tert-butylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103744064
1-Methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one
CID 103744297
6-Amino-1-butyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione
CID 103744373
2,4-Dimethyl-6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2,4-triazine-3,5-dione
CID 103744378
6-Amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione
CID 103744379
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
1-Ethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one
CID 103907696
2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106391530
2-amino-N-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]acetamide
CID 106397273

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione (CID 103744396) is 6-amino-1-ethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione is CCn1c(N)c(NCCc2ncno2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione?
The InChIKey is YTKVAWLYCXIEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O3/c1-2-16-8(11)7(9(17)15-10(16)18)12-4-3-6-13-5-14-19-6/h5,12H,2-4,11H2,1H3,(H,15,17,18).
What are the key properties of 6-amino-1-ethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione?
6-amino-1-ethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione has a molecular weight of 266.26 g/mol, XLogP of -0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 103744396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).