5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C15H17N3O4 — CID 3667846

IUPAC5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCCOc1ccc(/N=C/c2c(O)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C15H17N3O4/c1-4-22-11-7-5-10(6-8-11)16-9-12-13(19)17(2)15(21)18(3)14(12)20/h5-9,19H,4H2,1-3H3/b16-9+
InChIKeyCBBCUKOIPVKDOZ-CXUHLZMHSA-N
MW303.32 g/mol
LogP0.94
Rot. Bonds4

About 5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 3667846) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID3667846
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCCOc1ccc(/N=C/c2c(O)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C15H17N3O4/c1-4-22-11-7-5-10(6-8-11)16-9-12-13(19)17(2)15(21)18(3)14(12)20/h5-9,19H,4H2,1-3H3/b16-9+
InChIKeyCBBCUKOIPVKDOZ-CXUHLZMHSA-N
XLogP0.94
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 3667846) is 5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is CCOc1ccc(/N=C/c2c(O)n(C)c(=O)n(C)c2=O)cc1.
What is the InChIKey of 5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is CBBCUKOIPVKDOZ-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-4-22-11-7-5-10(6-8-11)16-9-12-13(19)17(2)15(21)18(3)14(12)20/h5-9,19H,4H2,1-3H3/b16-9+.
What are the key properties of 5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 303.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 3667846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).