5-fluoro-6-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one

C12H11FN4O2 — CID 59160579

IUPAC5-fluoro-6-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
SMILESCOc1ccc(/C=N/Nc2[nH]c(=O)ncc2F)cc1
InChIInChI=1S/C12H11FN4O2/c1-19-9-4-2-8(3-5-9)6-15-17-11-10(13)7-14-12(18)16-11/h2-7H,1H3,(H2,14,16,17,18)/b15-6+
InChIKeyOCSMPTMISGOHNX-GIDUJCDVSA-N
MW262.24 g/mol
LogP1.36
Rot. Bonds4

About 5-fluoro-6-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one

5-fluoro-6-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one (PubChem CID 59160579) has the molecular formula C12H11FN4O2 and a molecular weight of 262.24 g/mol. Its IUPAC name is 5-fluoro-6-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-6-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
PubChem CID59160579
Molecular FormulaC12H11FN4O2
Molecular Weight262.24 g/mol
Exact Mass262.09
IUPAC Name5-fluoro-6-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
SMILESCOc1ccc(/C=N/Nc2[nH]c(=O)ncc2F)cc1
InChIInChI=1S/C12H11FN4O2/c1-19-9-4-2-8(3-5-9)6-15-17-11-10(13)7-14-12(18)16-11/h2-7H,1H3,(H2,14,16,17,18)/b15-6+
InChIKeyOCSMPTMISGOHNX-GIDUJCDVSA-N
XLogP1.36
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one?
The IUPAC name of 5-fluoro-6-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one (CID 59160579) is 5-fluoro-6-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 5-fluoro-6-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one?
The canonical SMILES for 5-fluoro-6-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one is COc1ccc(/C=N/Nc2[nH]c(=O)ncc2F)cc1.
What is the InChIKey of 5-fluoro-6-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one?
The InChIKey is OCSMPTMISGOHNX-GIDUJCDVSA-N. The full InChI is InChI=1S/C12H11FN4O2/c1-19-9-4-2-8(3-5-9)6-15-17-11-10(13)7-14-12(18)16-11/h2-7H,1H3,(H2,14,16,17,18)/b15-6+.
What are the key properties of 5-fluoro-6-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one?
5-fluoro-6-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one has a molecular weight of 262.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 59160579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).