[2-cyclopropyl-6-(2,2-difluoroethoxy)pyrimidin-4-yl]hydrazine

C9H12F2N4O — CID 82010054

IUPAC[2-cyclopropyl-6-(2,2-difluoroethoxy)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(OCC(F)F)nc(C2CC2)n1
InChIInChI=1S/C9H12F2N4O/c10-6(11)4-16-8-3-7(15-12)13-9(14-8)5-1-2-5/h3,5-6H,1-2,4,12H2,(H,13,14,15)
InChIKeyLRCAMYTXPPFRBN-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.28
Rot. Bonds5

About [2-cyclopropyl-6-(2,2-difluoroethoxy)pyrimidin-4-yl]hydrazine

[2-cyclopropyl-6-(2,2-difluoroethoxy)pyrimidin-4-yl]hydrazine (PubChem CID 82010054) has the molecular formula C9H12F2N4O and a molecular weight of 230.22 g/mol. Its IUPAC name is [2-cyclopropyl-6-(2,2-difluoroethoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-cyclopropyl-6-(2,2-difluoroethoxy)pyrimidin-4-yl]hydrazine
PubChem CID82010054
Molecular FormulaC9H12F2N4O
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Name[2-cyclopropyl-6-(2,2-difluoroethoxy)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(OCC(F)F)nc(C2CC2)n1
InChIInChI=1S/C9H12F2N4O/c10-6(11)4-16-8-3-7(15-12)13-9(14-8)5-1-2-5/h3,5-6H,1-2,4,12H2,(H,13,14,15)
InChIKeyLRCAMYTXPPFRBN-UHFFFAOYSA-N
XLogP1.28
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.28
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 [2-cyclopropyl-6-(2,2-difluoroethoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-cyclopropyl-6-(2,2-difluoroethoxy)pyrimidin-4-yl]hydrazine (CID 82010054) is [2-cyclopropyl-6-(2,2-difluoroethoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-cyclopropyl-6-(2,2-difluoroethoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-cyclopropyl-6-(2,2-difluoroethoxy)pyrimidin-4-yl]hydrazine is NNc1cc(OCC(F)F)nc(C2CC2)n1.
What is the InChIKey of [2-cyclopropyl-6-(2,2-difluoroethoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is LRCAMYTXPPFRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4O/c10-6(11)4-16-8-3-7(15-12)13-9(14-8)5-1-2-5/h3,5-6H,1-2,4,12H2,(H,13,14,15).
What are the key properties of [2-cyclopropyl-6-(2,2-difluoroethoxy)pyrimidin-4-yl]hydrazine?
[2-cyclopropyl-6-(2,2-difluoroethoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 230.22 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-(2,2-difluoroethoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 82010054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).