N-cyclopropyl-2-(difluoromethyl)-5-fluoro-6-hydrazinylpyrimidin-4-amine

C8H10F3N5 — CID 141303976

IUPACN-cyclopropyl-2-(difluoromethyl)-5-fluoro-6-hydrazinylpyrimidin-4-amine
SMILESNNc1nc(C(F)F)nc(NC2CC2)c1F
InChIInChI=1S/C8H10F3N5/c9-4-6(13-3-1-2-3)14-8(5(10)11)15-7(4)16-12/h3,5H,1-2,12H2,(H2,13,14,15,16)
InChIKeyHQORKWCWUJBZSN-UHFFFAOYSA-N
MW233.20 g/mol
LogP1.41
Rot. Bonds4

About N-cyclopropyl-2-(difluoromethyl)-5-fluoro-6-hydrazinylpyrimidin-4-amine

N-cyclopropyl-2-(difluoromethyl)-5-fluoro-6-hydrazinylpyrimidin-4-amine (PubChem CID 141303976) has the molecular formula C8H10F3N5 and a molecular weight of 233.20 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethyl)-5-fluoro-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-(difluoromethyl)-5-fluoro-6-hydrazinylpyrimidin-4-amine
PubChem CID141303976
Molecular FormulaC8H10F3N5
Molecular Weight233.20 g/mol
Exact Mass233.09
IUPAC NameN-cyclopropyl-2-(difluoromethyl)-5-fluoro-6-hydrazinylpyrimidin-4-amine
SMILESNNc1nc(C(F)F)nc(NC2CC2)c1F
InChIInChI=1S/C8H10F3N5/c9-4-6(13-3-1-2-3)14-8(5(10)11)15-7(4)16-12/h3,5H,1-2,12H2,(H2,13,14,15,16)
InChIKeyHQORKWCWUJBZSN-UHFFFAOYSA-N
XLogP1.41
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 51.41
H-Bond Donors ≤ 53
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-cyclopropyl-2-(difluoromethyl)-5-fluoro-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-2-(difluoromethyl)-5-fluoro-6-hydrazinylpyrimidin-4-amine (CID 141303976) is N-cyclopropyl-2-(difluoromethyl)-5-fluoro-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-2-(difluoromethyl)-5-fluoro-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-2-(difluoromethyl)-5-fluoro-6-hydrazinylpyrimidin-4-amine is NNc1nc(C(F)F)nc(NC2CC2)c1F.
What is the InChIKey of N-cyclopropyl-2-(difluoromethyl)-5-fluoro-6-hydrazinylpyrimidin-4-amine?
The InChIKey is HQORKWCWUJBZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N5/c9-4-6(13-3-1-2-3)14-8(5(10)11)15-7(4)16-12/h3,5H,1-2,12H2,(H2,13,14,15,16).
What are the key properties of N-cyclopropyl-2-(difluoromethyl)-5-fluoro-6-hydrazinylpyrimidin-4-amine?
N-cyclopropyl-2-(difluoromethyl)-5-fluoro-6-hydrazinylpyrimidin-4-amine has a molecular weight of 233.20 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(difluoromethyl)-5-fluoro-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 141303976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).