5-[(2,4-dihydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione

C11H10N2O5 — CID 142730457

IUPAC5-[(2,4-dihydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(Cc2ccc(O)cc2O)C(=O)N1
InChIInChI=1S/C11H10N2O5/c14-6-2-1-5(8(15)4-6)3-7-9(16)12-11(18)13-10(7)17/h1-2,4,7,14-15H,3H2,(H2,12,13,16,17,18)
InChIKeyXHFTUYJOPZLAAK-UHFFFAOYSA-N
MW250.21 g/mol
LogP-0.38
Rot. Bonds2

About 5-[(2,4-dihydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione

5-[(2,4-dihydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione (PubChem CID 142730457) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 5-[(2,4-dihydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(2,4-dihydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
PubChem CID142730457
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name5-[(2,4-dihydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(Cc2ccc(O)cc2O)C(=O)N1
InChIInChI=1S/C11H10N2O5/c14-6-2-1-5(8(15)4-6)3-7-9(16)12-11(18)13-10(7)17/h1-2,4,7,14-15H,3H2,(H2,12,13,16,17,18)
InChIKeyXHFTUYJOPZLAAK-UHFFFAOYSA-N
XLogP-0.38
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dihydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(2,4-dihydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione (CID 142730457) is 5-[(2,4-dihydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(2,4-dihydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(2,4-dihydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(Cc2ccc(O)cc2O)C(=O)N1.
What is the InChIKey of 5-[(2,4-dihydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is XHFTUYJOPZLAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c14-6-2-1-5(8(15)4-6)3-7-9(16)12-11(18)13-10(7)17/h1-2,4,7,14-15H,3H2,(H2,12,13,16,17,18).
What are the key properties of 5-[(2,4-dihydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione?
5-[(2,4-dihydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 250.21 g/mol, XLogP of -0.38, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dihydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 142730457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).