6-[(4-fluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine

C13H13FN4O2 — CID 59003825

IUPAC6-[(4-fluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine
SMILESCO/N=C/c1c(N)ncnc1OCc1ccc(F)cc1
InChIInChI=1S/C13H13FN4O2/c1-19-18-6-11-12(15)16-8-17-13(11)20-7-9-2-4-10(14)5-3-9/h2-6,8H,7H2,1H3,(H2,15,16,17)/b18-6+
InChIKeyCXHLLEMFBFQKET-NGYBGAFCSA-N
MW276.27 g/mol
LogP1.76
Rot. Bonds5

About 6-[(4-fluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine

6-[(4-fluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine (PubChem CID 59003825) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine
PubChem CID59003825
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC Name6-[(4-fluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine
SMILESCO/N=C/c1c(N)ncnc1OCc1ccc(F)cc1
InChIInChI=1S/C13H13FN4O2/c1-19-18-6-11-12(15)16-8-17-13(11)20-7-9-2-4-10(14)5-3-9/h2-6,8H,7H2,1H3,(H2,15,16,17)/b18-6+
InChIKeyCXHLLEMFBFQKET-NGYBGAFCSA-N
XLogP1.76
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine?
The IUPAC name of 6-[(4-fluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine (CID 59003825) is 6-[(4-fluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[(4-fluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine?
The canonical SMILES for 6-[(4-fluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine is CO/N=C/c1c(N)ncnc1OCc1ccc(F)cc1.
What is the InChIKey of 6-[(4-fluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine?
The InChIKey is CXHLLEMFBFQKET-NGYBGAFCSA-N. The full InChI is InChI=1S/C13H13FN4O2/c1-19-18-6-11-12(15)16-8-17-13(11)20-7-9-2-4-10(14)5-3-9/h2-6,8H,7H2,1H3,(H2,15,16,17)/b18-6+.
What are the key properties of 6-[(4-fluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine?
6-[(4-fluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine has a molecular weight of 276.27 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine is sourced from PubChem (CID 59003825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).