6-hydroxy-5-(1-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione

C13H13N3O3 — CID 2841600

IUPAC6-hydroxy-5-(1-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione
SMILESCC(/N=C/c1c(O)[nH]c(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C13H13N3O3/c1-8(9-5-3-2-4-6-9)14-7-10-11(17)15-13(19)16-12(10)18/h2-8H,1H3,(H3,15,16,17,18,19)/b14-7+
InChIKeyZQIKFIMVRVABIL-VGOFMYFVSA-N
MW259.27 g/mol
LogP0.95
Rot. Bonds3

About 6-hydroxy-5-(1-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione

6-hydroxy-5-(1-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione (PubChem CID 2841600) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 6-hydroxy-5-(1-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(1-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione
PubChem CID2841600
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name6-hydroxy-5-(1-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione
SMILESCC(/N=C/c1c(O)[nH]c(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C13H13N3O3/c1-8(9-5-3-2-4-6-9)14-7-10-11(17)15-13(19)16-12(10)18/h2-8H,1H3,(H3,15,16,17,18,19)/b14-7+
InChIKeyZQIKFIMVRVABIL-VGOFMYFVSA-N
XLogP0.95
TPSA98.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 6-hydroxy-5-(1-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(1-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione (CID 2841600) is 6-hydroxy-5-(1-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(1-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(1-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione is CC(/N=C/c1c(O)[nH]c(=O)[nH]c1=O)c1ccccc1.
What is the InChIKey of 6-hydroxy-5-(1-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is ZQIKFIMVRVABIL-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8(9-5-3-2-4-6-9)14-7-10-11(17)15-13(19)16-12(10)18/h2-8H,1H3,(H3,15,16,17,18,19)/b14-7+.
What are the key properties of 6-hydroxy-5-(1-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione?
6-hydroxy-5-(1-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 259.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(1-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2841600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).