5-[(E)-N-anilino-C-methylcarbonimidoyl]-1-benzyl-6-hydroxypyrimidine-2,4-dione

C19H18N4O3 — CID 135398881

IUPAC5-[(E)-N-anilino-C-methylcarbonimidoyl]-1-benzyl-6-hydroxypyrimidine-2,4-dione
SMILESC/C(=N\Nc1ccccc1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H18N4O3/c1-13(21-22-15-10-6-3-7-11-15)16-17(24)20-19(26)23(18(16)25)12-14-8-4-2-5-9-14/h2-11,22,25H,12H2,1H3,(H,20,24,26)/b21-13+
InChIKeyMQZQRNCSNDEOEG-FYJGNVAPSA-N
MW350.38 g/mol
LogP2.13
Rot. Bonds5

About 5-[(E)-N-anilino-C-methylcarbonimidoyl]-1-benzyl-6-hydroxypyrimidine-2,4-dione

5-[(E)-N-anilino-C-methylcarbonimidoyl]-1-benzyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 135398881) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-[(E)-N-anilino-C-methylcarbonimidoyl]-1-benzyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(E)-N-anilino-C-methylcarbonimidoyl]-1-benzyl-6-hydroxypyrimidine-2,4-dione
PubChem CID135398881
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name5-[(E)-N-anilino-C-methylcarbonimidoyl]-1-benzyl-6-hydroxypyrimidine-2,4-dione
SMILESC/C(=N\Nc1ccccc1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H18N4O3/c1-13(21-22-15-10-6-3-7-11-15)16-17(24)20-19(26)23(18(16)25)12-14-8-4-2-5-9-14/h2-11,22,25H,12H2,1H3,(H,20,24,26)/b21-13+
InChIKeyMQZQRNCSNDEOEG-FYJGNVAPSA-N
XLogP2.13
TPSA99.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-N-anilino-C-methylcarbonimidoyl]-1-benzyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-[(E)-N-anilino-C-methylcarbonimidoyl]-1-benzyl-6-hydroxypyrimidine-2,4-dione (CID 135398881) is 5-[(E)-N-anilino-C-methylcarbonimidoyl]-1-benzyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-[(E)-N-anilino-C-methylcarbonimidoyl]-1-benzyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-[(E)-N-anilino-C-methylcarbonimidoyl]-1-benzyl-6-hydroxypyrimidine-2,4-dione is C/C(=N\Nc1ccccc1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[(E)-N-anilino-C-methylcarbonimidoyl]-1-benzyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is MQZQRNCSNDEOEG-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13(21-22-15-10-6-3-7-11-15)16-17(24)20-19(26)23(18(16)25)12-14-8-4-2-5-9-14/h2-11,22,25H,12H2,1H3,(H,20,24,26)/b21-13+.
What are the key properties of 5-[(E)-N-anilino-C-methylcarbonimidoyl]-1-benzyl-6-hydroxypyrimidine-2,4-dione?
5-[(E)-N-anilino-C-methylcarbonimidoyl]-1-benzyl-6-hydroxypyrimidine-2,4-dione has a molecular weight of 350.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-N-anilino-C-methylcarbonimidoyl]-1-benzyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 135398881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).