2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)propylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C14H15FN4O2 — CID 135820803

IUPAC2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)propylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCC/C(=N\Nc1nc(C)cc(=O)[nH]1)c1cc(F)ccc1O
InChIInChI=1S/C14H15FN4O2/c1-3-11(10-7-9(15)4-5-12(10)20)18-19-14-16-8(2)6-13(21)17-14/h4-7,20H,3H2,1-2H3,(H2,16,17,19,21)/b18-11+
InChIKeyMQUCAYAGKDSAMO-WOJGMQOQSA-N
MW290.30 g/mol
LogP2.15
Rot. Bonds4

About 2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)propylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)propylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135820803) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)propylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)propylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135820803
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)propylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCC/C(=N\Nc1nc(C)cc(=O)[nH]1)c1cc(F)ccc1O
InChIInChI=1S/C14H15FN4O2/c1-3-11(10-7-9(15)4-5-12(10)20)18-19-14-16-8(2)6-13(21)17-14/h4-7,20H,3H2,1-2H3,(H2,16,17,19,21)/b18-11+
InChIKeyMQUCAYAGKDSAMO-WOJGMQOQSA-N
XLogP2.15
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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 2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)propylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)propylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135820803) is 2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)propylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)propylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)propylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is CC/C(=N\Nc1nc(C)cc(=O)[nH]1)c1cc(F)ccc1O.
What is the InChIKey of 2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)propylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is MQUCAYAGKDSAMO-WOJGMQOQSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-3-11(10-7-9(15)4-5-12(10)20)18-19-14-16-8(2)6-13(21)17-14/h4-7,20H,3H2,1-2H3,(H2,16,17,19,21)/b18-11+.
What are the key properties of 2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)propylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)propylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 290.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)propylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135820803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).