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

C9H12N6O3 — CID 103744416

IUPAC6-amino-1-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione
SMILESCn1c(N)c(NCCc2ncno2)c(=O)[nH]c1=O
InChIInChI=1S/C9H12N6O3/c1-15-7(10)6(8(16)14-9(15)17)11-3-2-5-12-4-13-18-5/h4,11H,2-3,10H2,1H3,(H,14,16,17)
InChIKeyRBRGBHXIWHUPTO-UHFFFAOYSA-N
MW252.23 g/mol
LogP-1.31
Rot. Bonds4

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

6-amino-1-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione (PubChem CID 103744416) has the molecular formula C9H12N6O3 and a molecular weight of 252.23 g/mol. Its IUPAC name is 6-amino-1-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione
PubChem CID103744416
Molecular FormulaC9H12N6O3
Molecular Weight252.23 g/mol
Exact Mass252.10
IUPAC Name6-amino-1-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione
SMILESCn1c(N)c(NCCc2ncno2)c(=O)[nH]c1=O
InChIInChI=1S/C9H12N6O3/c1-15-7(10)6(8(16)14-9(15)17)11-3-2-5-12-4-13-18-5/h4,11H,2-3,10H2,1H3,(H,14,16,17)
InChIKeyRBRGBHXIWHUPTO-UHFFFAOYSA-N
XLogP-1.31
TPSA131.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-1.31
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-ethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione
CID 103744396
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-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione (CID 103744416) is 6-amino-1-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione is Cn1c(N)c(NCCc2ncno2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione?
The InChIKey is RBRGBHXIWHUPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O3/c1-15-7(10)6(8(16)14-9(15)17)11-3-2-5-12-4-13-18-5/h4,11H,2-3,10H2,1H3,(H,14,16,17).
What are the key properties of 6-amino-1-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione?
6-amino-1-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione has a molecular weight of 252.23 g/mol, XLogP of -1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 103744416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).