6-hydroxy-5-(naphthalen-1-yliminomethyl)-1-(2-phenylethyl)pyrimidine-2,4-dione

C23H19N3O3 — CID 137073461

IUPAC6-hydroxy-5-(naphthalen-1-yliminomethyl)-1-(2-phenylethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCc2ccccc2)c(O)c1/C=N/c1cccc2ccccc12
InChIInChI=1S/C23H19N3O3/c27-21-19(15-24-20-12-6-10-17-9-4-5-11-18(17)20)22(28)26(23(29)25-21)14-13-16-7-2-1-3-8-16/h1-12,15,28H,13-14H2,(H,25,27,29)/b24-15+
InChIKeyFFRCGJBAZCHVAZ-BUVRLJJBSA-N
MW385.42 g/mol
LogP3.39
Rot. Bonds5

About 6-hydroxy-5-(naphthalen-1-yliminomethyl)-1-(2-phenylethyl)pyrimidine-2,4-dione

6-hydroxy-5-(naphthalen-1-yliminomethyl)-1-(2-phenylethyl)pyrimidine-2,4-dione (PubChem CID 137073461) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 6-hydroxy-5-(naphthalen-1-yliminomethyl)-1-(2-phenylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(naphthalen-1-yliminomethyl)-1-(2-phenylethyl)pyrimidine-2,4-dione
PubChem CID137073461
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name6-hydroxy-5-(naphthalen-1-yliminomethyl)-1-(2-phenylethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCc2ccccc2)c(O)c1/C=N/c1cccc2ccccc12
InChIInChI=1S/C23H19N3O3/c27-21-19(15-24-20-12-6-10-17-9-4-5-11-18(17)20)22(28)26(23(29)25-21)14-13-16-7-2-1-3-8-16/h1-12,15,28H,13-14H2,(H,25,27,29)/b24-15+
InChIKeyFFRCGJBAZCHVAZ-BUVRLJJBSA-N
XLogP3.39
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.39
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

5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 137075421
5-[(4-bromo-3-chlorophenyl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 137069856
N-(2-bromophenyl)-4-[[6-hydroxy-2,4-dioxo-1-(2-phenylethyl)pyrimidin-5-yl]methylideneamino]benzenesulfonamide
CID 137070684
6-hydroxy-5-[[(2S)-1-(1H-indol-3-yl)butan-2-yl]iminomethyl]-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 136815832
4-[[6-hydroxy-2,4-dioxo-1-(2-phenylethyl)pyrimidin-5-yl]methylideneamino]-3-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 137070678
1-[2-(4-fluorophenyl)ethyl]-6-hydroxy-5-[(E)-piperidin-1-yliminomethyl]pyrimidine-2,4-dione
CID 135429763
1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]pyrimidine-2,4-dione
CID 135420761
5-[(2,6-dimethylphenyl)iminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione
CID 137073863
1-(furan-2-ylmethyl)-6-hydroxy-5-[(2-propan-2-ylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 3593135
6-hydroxy-1-methyl-5-(phenyliminomethyl)pyrimidine-2,4-dione
CID 135703589
1-[2-(4-fluorophenyl)ethyl]-6-hydroxy-5-[(E)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]pyrimidine-2,4-dione
CID 135562054
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]pyrimidine-2,4-dione
CID 135900847

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(naphthalen-1-yliminomethyl)-1-(2-phenylethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(naphthalen-1-yliminomethyl)-1-(2-phenylethyl)pyrimidine-2,4-dione (CID 137073461) is 6-hydroxy-5-(naphthalen-1-yliminomethyl)-1-(2-phenylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(naphthalen-1-yliminomethyl)-1-(2-phenylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(naphthalen-1-yliminomethyl)-1-(2-phenylethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCc2ccccc2)c(O)c1/C=N/c1cccc2ccccc12.
What is the InChIKey of 6-hydroxy-5-(naphthalen-1-yliminomethyl)-1-(2-phenylethyl)pyrimidine-2,4-dione?
The InChIKey is FFRCGJBAZCHVAZ-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-21-19(15-24-20-12-6-10-17-9-4-5-11-18(17)20)22(28)26(23(29)25-21)14-13-16-7-2-1-3-8-16/h1-12,15,28H,13-14H2,(H,25,27,29)/b24-15+.
What are the key properties of 6-hydroxy-5-(naphthalen-1-yliminomethyl)-1-(2-phenylethyl)pyrimidine-2,4-dione?
6-hydroxy-5-(naphthalen-1-yliminomethyl)-1-(2-phenylethyl)pyrimidine-2,4-dione has a molecular weight of 385.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(naphthalen-1-yliminomethyl)-1-(2-phenylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 137073461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).