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

C12H11N3O3 — CID 135703589

IUPAC6-hydroxy-1-methyl-5-(phenyliminomethyl)pyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C12H11N3O3/c1-15-11(17)9(10(16)14-12(15)18)7-13-8-5-3-2-4-6-8/h2-7,17H,1H3,(H,14,16,18)/b13-7+
InChIKeyWCPRIPIYWMSROF-NTUHNPAUSA-N
MW245.24 g/mol
LogP0.53
Rot. Bonds2

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

6-hydroxy-1-methyl-5-(phenyliminomethyl)pyrimidine-2,4-dione (PubChem CID 135703589) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 6-hydroxy-1-methyl-5-(phenyliminomethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-methyl-5-(phenyliminomethyl)pyrimidine-2,4-dione
PubChem CID135703589
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name6-hydroxy-1-methyl-5-(phenyliminomethyl)pyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C12H11N3O3/c1-15-11(17)9(10(16)14-12(15)18)7-13-8-5-3-2-4-6-8/h2-7,17H,1H3,(H,14,16,18)/b13-7+
InChIKeyWCPRIPIYWMSROF-NTUHNPAUSA-N
XLogP0.53
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]phenyl]acetamide
CID 3279876
methyl 4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]benzoate
CID 2222899
N,N-diethyl-4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]benzamide
CID 137075354
6-hydroxy-5-[(3-methylphenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione
CID 2840891
5-[(3-acetylphenyl)iminomethyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
CID 877693
6-hydroxy-1,3-dimethyl-5-[(4-phenyldiazenylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 137073260
5-[(4-bromo-2-chlorophenyl)iminomethyl]-6-hydroxy-1-methylpyrimidine-2,4-dione
CID 137070567
4-hydroxy-1,6-dimethyl-3-(phenyliminomethyl)pyridin-2-one
CID 137227914
6-hydroxy-5-(phenyliminomethyl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one
CID 135784212
5-[(4-chlorophenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 1379774
5-[(4-acetylphenyl)iminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 137070532
6-hydroxy-1,4-dimethyl-2-oxo-5-(phenyliminomethyl)pyridine-3-carbonitrile
CID 5127810

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-methyl-5-(phenyliminomethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-methyl-5-(phenyliminomethyl)pyrimidine-2,4-dione (CID 135703589) is 6-hydroxy-1-methyl-5-(phenyliminomethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-methyl-5-(phenyliminomethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-methyl-5-(phenyliminomethyl)pyrimidine-2,4-dione is Cn1c(O)c(/C=N/c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-methyl-5-(phenyliminomethyl)pyrimidine-2,4-dione?
The InChIKey is WCPRIPIYWMSROF-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-15-11(17)9(10(16)14-12(15)18)7-13-8-5-3-2-4-6-8/h2-7,17H,1H3,(H,14,16,18)/b13-7+.
What are the key properties of 6-hydroxy-1-methyl-5-(phenyliminomethyl)pyrimidine-2,4-dione?
6-hydroxy-1-methyl-5-(phenyliminomethyl)pyrimidine-2,4-dione has a molecular weight of 245.24 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-methyl-5-(phenyliminomethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 135703589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).