5-[(2,6-dimethylphenyl)iminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione

C23H19N3O3 — CID 137073863

IUPAC5-[(2,6-dimethylphenyl)iminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione
SMILESCc1cccc(C)c1/N=C/c1c(O)n(-c2cccc3ccccc23)c(=O)[nH]c1=O
InChIInChI=1S/C23H19N3O3/c1-14-7-5-8-15(2)20(14)24-13-18-21(27)25-23(29)26(22(18)28)19-12-6-10-16-9-3-4-11-17(16)19/h3-13,28H,1-2H3,(H,25,27,29)/b24-13+
InChIKeyFAXHSGUMTHUSAW-ZMOGYAJESA-N
MW385.42 g/mol
LogP3.75
Rot. Bonds3

About 5-[(2,6-dimethylphenyl)iminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione

5-[(2,6-dimethylphenyl)iminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione (PubChem CID 137073863) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 5-[(2,6-dimethylphenyl)iminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2,6-dimethylphenyl)iminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione
PubChem CID137073863
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name5-[(2,6-dimethylphenyl)iminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione
SMILESCc1cccc(C)c1/N=C/c1c(O)n(-c2cccc3ccccc23)c(=O)[nH]c1=O
InChIInChI=1S/C23H19N3O3/c1-14-7-5-8-15(2)20(14)24-13-18-21(27)25-23(29)26(22(18)28)19-12-6-10-16-9-3-4-11-17(16)19/h3-13,28H,1-2H3,(H,25,27,29)/b24-13+
InChIKeyFAXHSGUMTHUSAW-ZMOGYAJESA-N
XLogP3.75
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.75
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

6-hydroxy-1-naphthalen-1-yl-5-(propyliminomethyl)pyrimidine-2,4-dione
CID 137073220
5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione
CID 3547283
1-(2,3-dimethylphenyl)-6-hydroxy-5-[(4-iodophenyl)iminomethyl]pyrimidine-2,4-dione
CID 135571552
1-[(E)-(6-hydroxy-1-naphthalen-1-yl-2,4-dioxopyrimidin-5-yl)methylideneamino]-3-phenylurea
CID 135822207
6-hydroxy-5-[[6-(4-methylpiperazin-1-yl)-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]-1-naphthalen-1-ylpyrimidine-2,4-dione
CID 137070632
2-[(6-hydroxy-1-naphthalen-1-yl-2,4-dioxopyrimidin-5-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 3691511
5-(benzyliminomethyl)-1-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 1416482
6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 1377896
5-[(4-acetylphenyl)iminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 137070532
5-[(2-ethoxyphenyl)iminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 135784312
5-(butan-2-yliminomethyl)-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 627302
methyl 3-[[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate
CID 135784323

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylphenyl)iminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione?
The IUPAC name of 5-[(2,6-dimethylphenyl)iminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione (CID 137073863) is 5-[(2,6-dimethylphenyl)iminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2,6-dimethylphenyl)iminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(2,6-dimethylphenyl)iminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione is Cc1cccc(C)c1/N=C/c1c(O)n(-c2cccc3ccccc23)c(=O)[nH]c1=O.
What is the InChIKey of 5-[(2,6-dimethylphenyl)iminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione?
The InChIKey is FAXHSGUMTHUSAW-ZMOGYAJESA-N. The full InChI is InChI=1S/C23H19N3O3/c1-14-7-5-8-15(2)20(14)24-13-18-21(27)25-23(29)26(22(18)28)19-12-6-10-16-9-3-4-11-17(16)19/h3-13,28H,1-2H3,(H,25,27,29)/b24-13+.
What are the key properties of 5-[(2,6-dimethylphenyl)iminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione?
5-[(2,6-dimethylphenyl)iminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione has a molecular weight of 385.42 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylphenyl)iminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione is sourced from PubChem (CID 137073863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).