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

C13H13N3O3 — CID 2169131

IUPAC6-hydroxy-5-(2-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N/CCc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C13H13N3O3/c17-11-10(12(18)16-13(19)15-11)8-14-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,15,16,17,18,19)/b14-8+
InChIKeySWUQFLCGBUGRHL-RIYZIHGNSA-N
MW259.27 g/mol
LogP0.43
Rot. Bonds4

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

6-hydroxy-5-(2-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione (PubChem CID 2169131) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 6-hydroxy-5-(2-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(2-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione
PubChem CID2169131
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name6-hydroxy-5-(2-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N/CCc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C13H13N3O3/c17-11-10(12(18)16-13(19)15-11)8-14-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,15,16,17,18,19)/b14-8+
InChIKeySWUQFLCGBUGRHL-RIYZIHGNSA-N
XLogP0.43
TPSA98.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.43
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-(2-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(2-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione (CID 2169131) is 6-hydroxy-5-(2-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(2-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(2-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(/C=N/CCc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 6-hydroxy-5-(2-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is SWUQFLCGBUGRHL-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-11-10(12(18)16-13(19)15-11)8-14-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,15,16,17,18,19)/b14-8+.
What are the key properties of 6-hydroxy-5-(2-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione?
6-hydroxy-5-(2-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 259.27 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(2-phenylethyliminomethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2169131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).