6-hydroxy-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione

C11H10N4O3 — CID 135455301

IUPAC6-hydroxy-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N\Nc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C11H10N4O3/c16-9-8(10(17)14-11(18)13-9)6-12-15-7-4-2-1-3-5-7/h1-6,15H,(H3,13,14,16,17,18)/b12-6-
InChIKeyOQYFZUPFAGBHPS-SDQBBNPISA-N
MW246.23 g/mol
LogP0.21
Rot. Bonds3

About 6-hydroxy-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione

6-hydroxy-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 135455301) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 6-hydroxy-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione
PubChem CID135455301
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name6-hydroxy-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N\Nc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C11H10N4O3/c16-9-8(10(17)14-11(18)13-9)6-12-15-7-4-2-1-3-5-7/h1-6,15H,(H3,13,14,16,17,18)/b12-6-
InChIKeyOQYFZUPFAGBHPS-SDQBBNPISA-N
XLogP0.21
TPSA110.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 6-hydroxy-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione (CID 135455301) is 6-hydroxy-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(/C=N\Nc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 6-hydroxy-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is OQYFZUPFAGBHPS-SDQBBNPISA-N. The full InChI is InChI=1S/C11H10N4O3/c16-9-8(10(17)14-11(18)13-9)6-12-15-7-4-2-1-3-5-7/h1-6,15H,(H3,13,14,16,17,18)/b12-6-.
What are the key properties of 6-hydroxy-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 246.23 g/mol, XLogP of 0.21, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135455301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).