6-amino-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione

C7H7N5O3 — CID 106402488

IUPAC6-amino-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)[nH]c(=O)n1Cc1ncon1
InChIInChI=1S/C7H7N5O3/c8-4-1-6(13)10-7(14)12(4)2-5-9-3-15-11-5/h1,3H,2,8H2,(H,10,13,14)
InChIKeyTVEMOSPVXUECLT-UHFFFAOYSA-N
MW209.16 g/mol
LogP-1.45
Rot. Bonds2

About 6-amino-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione

6-amino-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione (PubChem CID 106402488) has the molecular formula C7H7N5O3 and a molecular weight of 209.16 g/mol. Its IUPAC name is 6-amino-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione
PubChem CID106402488
Molecular FormulaC7H7N5O3
Molecular Weight209.16 g/mol
Exact Mass209.05
IUPAC Name6-amino-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)[nH]c(=O)n1Cc1ncon1
InChIInChI=1S/C7H7N5O3/c8-4-1-6(13)10-7(14)12(4)2-5-9-3-15-11-5/h1,3H,2,8H2,(H,10,13,14)
InChIKeyTVEMOSPVXUECLT-UHFFFAOYSA-N
XLogP-1.45
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione (CID 106402488) is 6-amino-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione is Nc1cc(=O)[nH]c(=O)n1Cc1ncon1.
What is the InChIKey of 6-amino-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is TVEMOSPVXUECLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O3/c8-4-1-6(13)10-7(14)12(4)2-5-9-3-15-11-5/h1,3H,2,8H2,(H,10,13,14).
What are the key properties of 6-amino-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione?
6-amino-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 209.16 g/mol, XLogP of -1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 106402488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).