N-butyl-N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine

C11H18FN5 — CID 80896346

IUPACN-butyl-N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESCCCCN(c1nc(NN)ncc1F)C1CC1
InChIInChI=1S/C11H18FN5/c1-2-3-6-17(8-4-5-8)10-9(12)7-14-11(15-10)16-13/h7-8H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyHMDOFYGTURJHJQ-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.67
Rot. Bonds6

About N-butyl-N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine

N-butyl-N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine (PubChem CID 80896346) has the molecular formula C11H18FN5 and a molecular weight of 239.30 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine
PubChem CID80896346
Molecular FormulaC11H18FN5
Molecular Weight239.30 g/mol
Exact Mass239.15
IUPAC NameN-butyl-N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESCCCCN(c1nc(NN)ncc1F)C1CC1
InChIInChI=1S/C11H18FN5/c1-2-3-6-17(8-4-5-8)10-9(12)7-14-11(15-10)16-13/h7-8H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyHMDOFYGTURJHJQ-UHFFFAOYSA-N
XLogP1.67
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-butyl-N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-butyl-N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine (CID 80896346) is N-butyl-N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-butyl-N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-butyl-N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine is CCCCN(c1nc(NN)ncc1F)C1CC1.
What is the InChIKey of N-butyl-N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The InChIKey is HMDOFYGTURJHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN5/c1-2-3-6-17(8-4-5-8)10-9(12)7-14-11(15-10)16-13/h7-8H,2-6,13H2,1H3,(H,14,15,16).
What are the key properties of N-butyl-N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine?
N-butyl-N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine has a molecular weight of 239.30 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80896346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).