5-[N-(2-aminophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-methylpyrimidine-2,4-dione

C13H14N4O3 — CID 2839918

IUPAC5-[N-(2-aminophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-methylpyrimidine-2,4-dione
SMILESC/C(=N\c1ccccc1N)c1c(O)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H14N4O3/c1-7(15-9-6-4-3-5-8(9)14)10-11(18)16-13(20)17(2)12(10)19/h3-6,19H,14H2,1-2H3,(H,16,18,20)/b15-7+
InChIKeyTZTYTOGGPUUNIW-VIZOYTHASA-N
MW274.28 g/mol
LogP0.50
Rot. Bonds2

About 5-[N-(2-aminophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-methylpyrimidine-2,4-dione

5-[N-(2-aminophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-methylpyrimidine-2,4-dione (PubChem CID 2839918) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-[N-(2-aminophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-(2-aminophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-methylpyrimidine-2,4-dione
PubChem CID2839918
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name5-[N-(2-aminophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-methylpyrimidine-2,4-dione
SMILESC/C(=N\c1ccccc1N)c1c(O)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H14N4O3/c1-7(15-9-6-4-3-5-8(9)14)10-11(18)16-13(20)17(2)12(10)19/h3-6,19H,14H2,1-2H3,(H,16,18,20)/b15-7+
InChIKeyTZTYTOGGPUUNIW-VIZOYTHASA-N
XLogP0.50
TPSA113.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[N-(2-aminophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-[N-(2-aminophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-methylpyrimidine-2,4-dione (CID 2839918) is 5-[N-(2-aminophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-(2-aminophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-[N-(2-aminophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-methylpyrimidine-2,4-dione is C/C(=N\c1ccccc1N)c1c(O)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 5-[N-(2-aminophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-methylpyrimidine-2,4-dione?
The InChIKey is TZTYTOGGPUUNIW-VIZOYTHASA-N. The full InChI is InChI=1S/C13H14N4O3/c1-7(15-9-6-4-3-5-8(9)14)10-11(18)16-13(20)17(2)12(10)19/h3-6,19H,14H2,1-2H3,(H,16,18,20)/b15-7+.
What are the key properties of 5-[N-(2-aminophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-methylpyrimidine-2,4-dione?
5-[N-(2-aminophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-methylpyrimidine-2,4-dione has a molecular weight of 274.28 g/mol, XLogP of 0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-(2-aminophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 2839918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).