[2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine

C10H13F3N4O — CID 81001179

IUPAC[2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C2CC2)nc1OCC(F)(F)F
InChIInChI=1S/C10H13F3N4O/c1-5-7(17-14)15-8(6-2-3-6)16-9(5)18-4-10(11,12)13/h6H,2-4,14H2,1H3,(H,15,16,17)
InChIKeyOVLGPUBNDDDXTC-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.89
Rot. Bonds4

About [2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine

[2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine (PubChem CID 81001179) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is [2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine
PubChem CID81001179
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name[2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C2CC2)nc1OCC(F)(F)F
InChIInChI=1S/C10H13F3N4O/c1-5-7(17-14)15-8(6-2-3-6)16-9(5)18-4-10(11,12)13/h6H,2-4,14H2,1H3,(H,15,16,17)
InChIKeyOVLGPUBNDDDXTC-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
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-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine (CID 81001179) is [2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine is Cc1c(NN)nc(C2CC2)nc1OCC(F)(F)F.
What is the InChIKey of [2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is OVLGPUBNDDDXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-5-7(17-14)15-8(6-2-3-6)16-9(5)18-4-10(11,12)13/h6H,2-4,14H2,1H3,(H,15,16,17).
What are the key properties of [2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine?
[2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 262.23 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81001179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).