6-amino-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione

C8H8N4O3 — CID 106418326

IUPAC6-amino-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)[nH]c(=O)n1Cc1ccno1
InChIInChI=1S/C8H8N4O3/c9-6-3-7(13)11-8(14)12(6)4-5-1-2-10-15-5/h1-3H,4,9H2,(H,11,13,14)
InChIKeyQKDGQUAGCXGGBH-UHFFFAOYSA-N
MW208.18 g/mol
LogP-0.84
Rot. Bonds2

About 6-amino-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione

6-amino-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione (PubChem CID 106418326) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is 6-amino-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione
PubChem CID106418326
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Name6-amino-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)[nH]c(=O)n1Cc1ccno1
InChIInChI=1S/C8H8N4O3/c9-6-3-7(13)11-8(14)12(6)4-5-1-2-10-15-5/h1-3H,4,9H2,(H,11,13,14)
InChIKeyQKDGQUAGCXGGBH-UHFFFAOYSA-N
XLogP-0.84
TPSA106.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione (CID 106418326) is 6-amino-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione is Nc1cc(=O)[nH]c(=O)n1Cc1ccno1.
What is the InChIKey of 6-amino-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is QKDGQUAGCXGGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3/c9-6-3-7(13)11-8(14)12(6)4-5-1-2-10-15-5/h1-3H,4,9H2,(H,11,13,14).
What are the key properties of 6-amino-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione?
6-amino-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 208.18 g/mol, XLogP of -0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 106418326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).