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

C11H9N3O3 — CID 2250488

IUPAC6-hydroxy-5-(phenyliminomethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N/c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C11H9N3O3/c15-9-8(10(16)14-11(17)13-9)6-12-7-4-2-1-3-5-7/h1-6H,(H3,13,14,15,16,17)/b12-6+
InChIKeyRGZQAPKBXANFKH-WUXMJOGZSA-N
MW231.21 g/mol
LogP0.52
Rot. Bonds2

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

6-hydroxy-5-(phenyliminomethyl)-1H-pyrimidine-2,4-dione (PubChem CID 2250488) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 6-hydroxy-5-(phenyliminomethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(phenyliminomethyl)-1H-pyrimidine-2,4-dione
PubChem CID2250488
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name6-hydroxy-5-(phenyliminomethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N/c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C11H9N3O3/c15-9-8(10(16)14-11(17)13-9)6-12-7-4-2-1-3-5-7/h1-6H,(H3,13,14,15,16,17)/b12-6+
InChIKeyRGZQAPKBXANFKH-WUXMJOGZSA-N
XLogP0.52
TPSA98.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.52
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-(phenyliminomethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(phenyliminomethyl)-1H-pyrimidine-2,4-dione (CID 2250488) is 6-hydroxy-5-(phenyliminomethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(phenyliminomethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(phenyliminomethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(/C=N/c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 6-hydroxy-5-(phenyliminomethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is RGZQAPKBXANFKH-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-9-8(10(16)14-11(17)13-9)6-12-7-4-2-1-3-5-7/h1-6H,(H3,13,14,15,16,17)/b12-6+.
What are the key properties of 6-hydroxy-5-(phenyliminomethyl)-1H-pyrimidine-2,4-dione?
6-hydroxy-5-(phenyliminomethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 231.21 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(phenyliminomethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2250488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).