6-ethoxy-5-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione

C9H13N3O3 — CID 88898584

IUPAC6-ethoxy-5-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione
SMILES[H]/N=C/c1c(OCC)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H13N3O3/c1-4-15-8-6(5-10)7(13)11(2)9(14)12(8)3/h5,10H,4H2,1-3H3/b10-5+
InChIKeyCSIYZPRUPFAAOA-BJMVGYQFSA-N
MW211.22 g/mol
LogP-0.52
Rot. Bonds3

About 6-ethoxy-5-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione

6-ethoxy-5-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 88898584) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-ethoxy-5-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-ethoxy-5-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione
PubChem CID88898584
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name6-ethoxy-5-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione
SMILES[H]/N=C/c1c(OCC)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H13N3O3/c1-4-15-8-6(5-10)7(13)11(2)9(14)12(8)3/h5,10H,4H2,1-3H3/b10-5+
InChIKeyCSIYZPRUPFAAOA-BJMVGYQFSA-N
XLogP-0.52
TPSA77.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-ethoxy-5-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione (CID 88898584) is 6-ethoxy-5-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-ethoxy-5-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-ethoxy-5-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione is [H]/N=C/c1c(OCC)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-ethoxy-5-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is CSIYZPRUPFAAOA-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-4-15-8-6(5-10)7(13)11(2)9(14)12(8)3/h5,10H,4H2,1-3H3/b10-5+.
What are the key properties of 6-ethoxy-5-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione?
6-ethoxy-5-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 211.22 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 88898584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).