[2-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine

C10H13F3N4O — CID 80978953

IUPAC[2-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine
SMILESCC(Oc1cc(NN)nc(C2CC2)n1)C(F)(F)F
InChIInChI=1S/C10H13F3N4O/c1-5(10(11,12)13)18-8-4-7(17-14)15-9(16-8)6-2-3-6/h4-6H,2-3,14H2,1H3,(H,15,16,17)
InChIKeyAERVYHPFTYFIGY-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.97
Rot. Bonds4

About [2-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine

[2-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine (PubChem CID 80978953) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is [2-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine
PubChem CID80978953
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name[2-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine
SMILESCC(Oc1cc(NN)nc(C2CC2)n1)C(F)(F)F
InChIInChI=1S/C10H13F3N4O/c1-5(10(11,12)13)18-8-4-7(17-14)15-9(16-8)6-2-3-6/h4-6H,2-3,14H2,1H3,(H,15,16,17)
InChIKeyAERVYHPFTYFIGY-UHFFFAOYSA-N
XLogP1.97
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.97
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-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine (CID 80978953) is [2-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine is CC(Oc1cc(NN)nc(C2CC2)n1)C(F)(F)F.
What is the InChIKey of [2-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine?
The InChIKey is AERVYHPFTYFIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-5(10(11,12)13)18-8-4-7(17-14)15-9(16-8)6-2-3-6/h4-6H,2-3,14H2,1H3,(H,15,16,17).
What are the key properties of [2-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine?
[2-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine has a molecular weight of 262.23 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80978953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).