6-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione

C26H31FN4O3 — CID 135525432

IUPAC6-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)cc(N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C26H31FN4O3/c1-25(2,3)19-12-16(13-20(23(19)33)26(4,5)6)15-28-29-21-14-22(32)30(7)24(34)31(21)18-10-8-17(27)9-11-18/h8-15,29,33H,1-7H3/b28-15+
InChIKeyYLLUJGPOOXAVCX-RWPZCVJISA-N
MW466.56 g/mol
LogP4.42
Rot. Bonds4

About 6-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione

6-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione (PubChem CID 135525432) has the molecular formula C26H31FN4O3 and a molecular weight of 466.56 g/mol. Its IUPAC name is 6-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione
PubChem CID135525432
Molecular FormulaC26H31FN4O3
Molecular Weight466.56 g/mol
Exact Mass466.24
IUPAC Name6-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)cc(N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C26H31FN4O3/c1-25(2,3)19-12-16(13-20(23(19)33)26(4,5)6)15-28-29-21-14-22(32)30(7)24(34)31(21)18-10-8-17(27)9-11-18/h8-15,29,33H,1-7H3/b28-15+
InChIKeyYLLUJGPOOXAVCX-RWPZCVJISA-N
XLogP4.42
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione?
The IUPAC name of 6-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione (CID 135525432) is 6-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione is Cn1c(=O)cc(N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 6-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione?
The InChIKey is YLLUJGPOOXAVCX-RWPZCVJISA-N. The full InChI is InChI=1S/C26H31FN4O3/c1-25(2,3)19-12-16(13-20(23(19)33)26(4,5)6)15-28-29-21-14-22(32)30(7)24(34)31(21)18-10-8-17(27)9-11-18/h8-15,29,33H,1-7H3/b28-15+.
What are the key properties of 6-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione?
6-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione has a molecular weight of 466.56 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 135525432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).