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

C22H17FN4O3 — CID 135420761

IUPAC1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(F)cc2)c(O)c1/C=N/Nc1cccc2ccccc12
InChIInChI=1S/C22H17FN4O3/c23-16-10-8-14(9-11-16)13-27-21(29)18(20(28)25-22(27)30)12-24-26-19-7-3-5-15-4-1-2-6-17(15)19/h1-12,26,29H,13H2,(H,25,28,30)/b24-12+
InChIKeyLSDLOMXIEWZFBO-WYMPLXKRSA-N
MW404.40 g/mol
LogP3.03
Rot. Bonds5

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

1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]pyrimidine-2,4-dione (PubChem CID 135420761) has the molecular formula C22H17FN4O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]pyrimidine-2,4-dione
PubChem CID135420761
Molecular FormulaC22H17FN4O3
Molecular Weight404.40 g/mol
Exact Mass404.13
IUPAC Name1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(F)cc2)c(O)c1/C=N/Nc1cccc2ccccc12
InChIInChI=1S/C22H17FN4O3/c23-16-10-8-14(9-11-16)13-27-21(29)18(20(28)25-22(27)30)12-24-26-19-7-3-5-15-4-1-2-6-17(15)19/h1-12,26,29H,13H2,(H,25,28,30)/b24-12+
InChIKeyLSDLOMXIEWZFBO-WYMPLXKRSA-N
XLogP3.03
TPSA99.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.03
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

[(E)-[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea
CID 135821968
1-[(E)-[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylthiourea
CID 135481406
1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(phenylhydrazinylidene)methyl]-2-sulfanylidenepyrimidin-4-one
CID 3733071
6-hydroxy-5-[(naphthalen-1-ylhydrazinylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione
CID 137070210
1-benzyl-5-[(E)-C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 135685287
N-[(E)-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]benzamide
CID 135421017
1-cyclopropyl-6-hydroxy-5-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]-2-sulfanylidenepyrimidin-4-one
CID 135420790
5-[(2-aminocyclohexyl)iminomethyl]-1-[(4-fluorophenyl)methyl]-6-hydroxypyrimidine-2,4-dione
CID 5041899
6-hydroxy-5-(naphthalen-1-yliminomethyl)-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 137073461
1-benzyl-5-(butan-2-yliminomethyl)-6-hydroxypyrimidine-2,4-dione
CID 2840187
N-[(Z)-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 126394581
7-[(4-fluorophenyl)methyl]-8-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione
CID 136671398

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]pyrimidine-2,4-dione (CID 135420761) is 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccc(F)cc2)c(O)c1/C=N/Nc1cccc2ccccc12.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]pyrimidine-2,4-dione?
The InChIKey is LSDLOMXIEWZFBO-WYMPLXKRSA-N. The full InChI is InChI=1S/C22H17FN4O3/c23-16-10-8-14(9-11-16)13-27-21(29)18(20(28)25-22(27)30)12-24-26-19-7-3-5-15-4-1-2-6-17(15)19/h1-12,26,29H,13H2,(H,25,28,30)/b24-12+.
What are the key properties of 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]pyrimidine-2,4-dione?
1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]pyrimidine-2,4-dione has a molecular weight of 404.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135420761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).