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

C8H11N3O3 — CID 89087244

IUPAC5-methanimidoyl-6-methoxy-1,3-dimethylpyrimidine-2,4-dione
SMILES[H]/N=C/c1c(OC)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C8H11N3O3/c1-10-6(12)5(4-9)7(14-3)11(2)8(10)13/h4,9H,1-3H3/b9-4+
InChIKeyNWOHEPDSWNNWFX-RUDMXATFSA-N
MW197.19 g/mol
LogP-0.91
Rot. Bonds2

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

5-methanimidoyl-6-methoxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 89087244) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 5-methanimidoyl-6-methoxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methanimidoyl-6-methoxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID89087244
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name5-methanimidoyl-6-methoxy-1,3-dimethylpyrimidine-2,4-dione
SMILES[H]/N=C/c1c(OC)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C8H11N3O3/c1-10-6(12)5(4-9)7(14-3)11(2)8(10)13/h4,9H,1-3H3/b9-4+
InChIKeyNWOHEPDSWNNWFX-RUDMXATFSA-N
XLogP-0.91
TPSA77.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.91
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 5-methanimidoyl-6-methoxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-methanimidoyl-6-methoxy-1,3-dimethylpyrimidine-2,4-dione (CID 89087244) is 5-methanimidoyl-6-methoxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-methanimidoyl-6-methoxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-methanimidoyl-6-methoxy-1,3-dimethylpyrimidine-2,4-dione is [H]/N=C/c1c(OC)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-methanimidoyl-6-methoxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is NWOHEPDSWNNWFX-RUDMXATFSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-10-6(12)5(4-9)7(14-3)11(2)8(10)13/h4,9H,1-3H3/b9-4+.
What are the key properties of 5-methanimidoyl-6-methoxy-1,3-dimethylpyrimidine-2,4-dione?
5-methanimidoyl-6-methoxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 197.19 g/mol, XLogP of -0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanimidoyl-6-methoxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 89087244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).