5-fluoro-2-hydrazinyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine

C9H16FN5O — CID 104767471

IUPAC5-fluoro-2-hydrazinyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
SMILESCC(C)OCCNc1nc(NN)ncc1F
InChIInChI=1S/C9H16FN5O/c1-6(2)16-4-3-12-8-7(10)5-13-9(14-8)15-11/h5-6H,3-4,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyOATVZSTWUSORIX-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.74
Rot. Bonds6

About 5-fluoro-2-hydrazinyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine

5-fluoro-2-hydrazinyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine (PubChem CID 104767471) has the molecular formula C9H16FN5O and a molecular weight of 229.26 g/mol. Its IUPAC name is 5-fluoro-2-hydrazinyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-hydrazinyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
PubChem CID104767471
Molecular FormulaC9H16FN5O
Molecular Weight229.26 g/mol
Exact Mass229.13
IUPAC Name5-fluoro-2-hydrazinyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
SMILESCC(C)OCCNc1nc(NN)ncc1F
InChIInChI=1S/C9H16FN5O/c1-6(2)16-4-3-12-8-7(10)5-13-9(14-8)15-11/h5-6H,3-4,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyOATVZSTWUSORIX-UHFFFAOYSA-N
XLogP0.74
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-propan-2-yloxyethyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-hydrazinyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine (CID 104767471) is 5-fluoro-2-hydrazinyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-hydrazinyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-hydrazinyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine is CC(C)OCCNc1nc(NN)ncc1F.
What is the InChIKey of 5-fluoro-2-hydrazinyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine?
The InChIKey is OATVZSTWUSORIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN5O/c1-6(2)16-4-3-12-8-7(10)5-13-9(14-8)15-11/h5-6H,3-4,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-fluoro-2-hydrazinyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine?
5-fluoro-2-hydrazinyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine has a molecular weight of 229.26 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydrazinyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 104767471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).