5-fluoro-2-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine

C8H9FN6O — CID 81174414

IUPAC5-fluoro-2-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
SMILESNNc1ncc(F)c(NCc2ccon2)n1
InChIInChI=1S/C8H9FN6O/c9-6-4-12-8(14-10)13-7(6)11-3-5-1-2-16-15-5/h1-2,4H,3,10H2,(H2,11,12,13,14)
InChIKeySOBCSPHWFYKLAP-UHFFFAOYSA-N
MW224.20 g/mol
LogP0.50
Rot. Bonds4

About 5-fluoro-2-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine

5-fluoro-2-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine (PubChem CID 81174414) has the molecular formula C8H9FN6O and a molecular weight of 224.20 g/mol. Its IUPAC name is 5-fluoro-2-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
PubChem CID81174414
Molecular FormulaC8H9FN6O
Molecular Weight224.20 g/mol
Exact Mass224.08
IUPAC Name5-fluoro-2-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
SMILESNNc1ncc(F)c(NCc2ccon2)n1
InChIInChI=1S/C8H9FN6O/c9-6-4-12-8(14-10)13-7(6)11-3-5-1-2-16-15-5/h1-2,4H,3,10H2,(H2,11,12,13,14)
InChIKeySOBCSPHWFYKLAP-UHFFFAOYSA-N
XLogP0.50
TPSA101.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-2-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine (CID 81174414) is 5-fluoro-2-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine is NNc1ncc(F)c(NCc2ccon2)n1.
What is the InChIKey of 5-fluoro-2-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is SOBCSPHWFYKLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN6O/c9-6-4-12-8(14-10)13-7(6)11-3-5-1-2-16-15-5/h1-2,4H,3,10H2,(H2,11,12,13,14).
What are the key properties of 5-fluoro-2-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine?
5-fluoro-2-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 224.20 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 81174414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).