5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C13H15N3O4 — CID 662390

IUPAC5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESC/C(=N\Cc1ccco1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H15N3O4/c1-8(14-7-9-5-4-6-20-9)10-11(17)15(2)13(19)16(3)12(10)18/h4-6,17H,7H2,1-3H3/b14-8+
InChIKeySLGBBSYKKACXGI-RIYZIHGNSA-N
MW277.28 g/mol
LogP0.39
Rot. Bonds3

About 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 662390) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID662390
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESC/C(=N\Cc1ccco1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H15N3O4/c1-8(14-7-9-5-4-6-20-9)10-11(17)15(2)13(19)16(3)12(10)18/h4-6,17H,7H2,1-3H3/b14-8+
InChIKeySLGBBSYKKACXGI-RIYZIHGNSA-N
XLogP0.39
TPSA89.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-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 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 662390) is 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is C/C(=N\Cc1ccco1)c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is SLGBBSYKKACXGI-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-8(14-7-9-5-4-6-20-9)10-11(17)15(2)13(19)16(3)12(10)18/h4-6,17H,7H2,1-3H3/b14-8+.
What are the key properties of 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 277.28 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 662390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).