6-hydroxy-5-[(naphthalen-1-ylhydrazinylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione

C24H22N4O3 — CID 137070210

IUPAC6-hydroxy-5-[(naphthalen-1-ylhydrazinylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione
SMILESCc1cc(C)c(-n2c(O)c(C=NNc3cccc4ccccc34)c(=O)[nH]c2=O)c(C)c1
InChIInChI=1S/C24H22N4O3/c1-14-11-15(2)21(16(3)12-14)28-23(30)19(22(29)26-24(28)31)13-25-27-20-10-6-8-17-7-4-5-9-18(17)20/h4-13,27,30H,1-3H3,(H,26,29,31)
InChIKeyPPYRXJLAWYOMPQ-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.76
Rot. Bonds4

About 6-hydroxy-5-[(naphthalen-1-ylhydrazinylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione

6-hydroxy-5-[(naphthalen-1-ylhydrazinylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione (PubChem CID 137070210) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 6-hydroxy-5-[(naphthalen-1-ylhydrazinylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(naphthalen-1-ylhydrazinylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione
PubChem CID137070210
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name6-hydroxy-5-[(naphthalen-1-ylhydrazinylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione
SMILESCc1cc(C)c(-n2c(O)c(C=NNc3cccc4ccccc34)c(=O)[nH]c2=O)c(C)c1
InChIInChI=1S/C24H22N4O3/c1-14-11-15(2)21(16(3)12-14)28-23(30)19(22(29)26-24(28)31)13-25-27-20-10-6-8-17-7-4-5-9-18(17)20/h4-13,27,30H,1-3H3,(H,26,29,31)
InChIKeyPPYRXJLAWYOMPQ-UHFFFAOYSA-N
XLogP3.76
TPSA99.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-1-(3-methylphenyl)-5-[[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione
CID 136704981
2-chloro-N-[[6-hydroxy-2,4-dioxo-1-(2,4,6-trimethylphenyl)pyrimidin-5-yl]methylideneamino]benzamide
CID 137070211
1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]pyrimidine-2,4-dione
CID 135420761
5-(ethyliminomethyl)-6-hydroxy-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione
CID 2840209
1-cyclopropyl-6-hydroxy-5-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]-2-sulfanylidenepyrimidin-4-one
CID 135420790
5-[(2,6-dimethylphenyl)iminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione
CID 137073863
1-cycloheptyl-6-hydroxy-5-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione
CID 135715871
5-[(4-bromo-3-methylphenyl)iminomethyl]-6-hydroxy-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione
CID 137070493
6-hydroxy-5-[[(4-methoxyphenyl)hydrazinylidene]methyl]-1-(3-methylphenyl)pyrimidine-2,4-dione
CID 3113249
1-(2,4-dimethylphenyl)-5-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-hydroxypyrimidine-2,4-dione
CID 135607276
1-(2-chlorophenyl)-5-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-hydroxypyrimidine-2,4-dione
CID 137073853
6-hydroxy-1-naphthalen-1-yl-5-(propyliminomethyl)pyrimidine-2,4-dione
CID 137073220

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(naphthalen-1-ylhydrazinylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(naphthalen-1-ylhydrazinylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione (CID 137070210) is 6-hydroxy-5-[(naphthalen-1-ylhydrazinylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(naphthalen-1-ylhydrazinylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(naphthalen-1-ylhydrazinylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione is Cc1cc(C)c(-n2c(O)c(C=NNc3cccc4ccccc34)c(=O)[nH]c2=O)c(C)c1.
What is the InChIKey of 6-hydroxy-5-[(naphthalen-1-ylhydrazinylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione?
The InChIKey is PPYRXJLAWYOMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-14-11-15(2)21(16(3)12-14)28-23(30)19(22(29)26-24(28)31)13-25-27-20-10-6-8-17-7-4-5-9-18(17)20/h4-13,27,30H,1-3H3,(H,26,29,31).
What are the key properties of 6-hydroxy-5-[(naphthalen-1-ylhydrazinylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione?
6-hydroxy-5-[(naphthalen-1-ylhydrazinylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione has a molecular weight of 414.47 g/mol, XLogP of 3.76, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(naphthalen-1-ylhydrazinylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 137070210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).