2-[(2E)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C16H13FN4O2 — CID 135676414

IUPAC2-[(2E)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/c2ccc(-c3ccc(F)cc3)o2)n1
InChIInChI=1S/C16H13FN4O2/c1-10-8-15(22)20-16(19-10)21-18-9-13-6-7-14(23-13)11-2-4-12(17)5-3-11/h2-9H,1H3,(H2,19,20,21,22)/b18-9+
InChIKeyBFERMMVCYHYVSZ-GIJQJNRQSA-N
MW312.30 g/mol
LogP2.92
Rot. Bonds4

About 2-[(2E)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[(2E)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135676414) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-[(2E)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135676414
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name2-[(2E)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/c2ccc(-c3ccc(F)cc3)o2)n1
InChIInChI=1S/C16H13FN4O2/c1-10-8-15(22)20-16(19-10)21-18-9-13-6-7-14(23-13)11-2-4-12(17)5-3-11/h2-9H,1H3,(H2,19,20,21,22)/b18-9+
InChIKeyBFERMMVCYHYVSZ-GIJQJNRQSA-N
XLogP2.92
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.92
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 2-[(2E)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135676414) is 2-[(2E)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N/N=C/c2ccc(-c3ccc(F)cc3)o2)n1.
What is the InChIKey of 2-[(2E)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is BFERMMVCYHYVSZ-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H13FN4O2/c1-10-8-15(22)20-16(19-10)21-18-9-13-6-7-14(23-13)11-2-4-12(17)5-3-11/h2-9H,1H3,(H2,19,20,21,22)/b18-9+.
What are the key properties of 2-[(2E)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 312.30 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135676414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).