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

C11H16N6O3 — CID 103744379

IUPAC6-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCCc2ncno2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N6O3/c1-2-5-17-9(12)8(10(18)16-11(17)19)13-4-3-7-14-6-15-20-7/h6,13H,2-5,12H2,1H3,(H,16,18,19)
InChIKeyJAYNUGKBUAOPGB-UHFFFAOYSA-N
MW280.29 g/mol
LogP-0.43
Rot. Bonds6

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

6-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione (PubChem CID 103744379) has the molecular formula C11H16N6O3 and a molecular weight of 280.29 g/mol. Its IUPAC name is 6-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione
PubChem CID103744379
Molecular FormulaC11H16N6O3
Molecular Weight280.29 g/mol
Exact Mass280.13
IUPAC Name6-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCCc2ncno2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N6O3/c1-2-5-17-9(12)8(10(18)16-11(17)19)13-4-3-7-14-6-15-20-7/h6,13H,2-5,12H2,1H3,(H,16,18,19)
InChIKeyJAYNUGKBUAOPGB-UHFFFAOYSA-N
XLogP-0.43
TPSA131.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione with MolForge

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Related Compounds

6-Amino-1-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione
CID 103703171
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
6-Amino-1-butyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione
CID 103744373
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
1-(2-Methylpropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one
CID 103888931
1-Ethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one
CID 103907696
2-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106397330
2-methyl-2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106397332
2-(ethylamino)-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106397403

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione (CID 103744379) is 6-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCCc2ncno2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione?
The InChIKey is JAYNUGKBUAOPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O3/c1-2-5-17-9(12)8(10(18)16-11(17)19)13-4-3-7-14-6-15-20-7/h6,13H,2-5,12H2,1H3,(H,16,18,19).
What are the key properties of 6-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione has a molecular weight of 280.29 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 103744379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).