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

C13H13N3O4 — CID 4623736

IUPAC6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/c2ccc(O)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H13N3O4/c1-15-11(18)10(12(19)16(2)13(15)20)7-14-8-3-5-9(17)6-4-8/h3-7,17-18H,1-2H3/b14-7+
InChIKeyFBKJNFPUIVIESX-VGOFMYFVSA-N
MW275.26 g/mol
LogP0.25
Rot. Bonds2

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

6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 4623736) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID4623736
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/c2ccc(O)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H13N3O4/c1-15-11(18)10(12(19)16(2)13(15)20)7-14-8-3-5-9(17)6-4-8/h3-7,17-18H,1-2H3/b14-7+
InChIKeyFBKJNFPUIVIESX-VGOFMYFVSA-N
XLogP0.25
TPSA96.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.25
H-Bond Donors ≤ 52
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 6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione (CID 4623736) is 6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(O)c(/C=N/c2ccc(O)cc2)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is FBKJNFPUIVIESX-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-15-11(18)10(12(19)16(2)13(15)20)7-14-8-3-5-9(17)6-4-8/h3-7,17-18H,1-2H3/b14-7+.
What are the key properties of 6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione?
6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 275.26 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 4623736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).