[5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine

C9H13F3N4 — CID 79964597

IUPAC[5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine
SMILESCc1nc(CCC(F)(F)F)nc(NN)c1C
InChIInChI=1S/C9H13F3N4/c1-5-6(2)14-7(15-8(5)16-13)3-4-9(10,11)12/h3-4,13H2,1-2H3,(H,14,15,16)
InChIKeyWAXHPRFUBCCNRC-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.87
Rot. Bonds3

About [5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine

[5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine (PubChem CID 79964597) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is [5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine
PubChem CID79964597
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name[5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine
SMILESCc1nc(CCC(F)(F)F)nc(NN)c1C
InChIInChI=1S/C9H13F3N4/c1-5-6(2)14-7(15-8(5)16-13)3-4-9(10,11)12/h3-4,13H2,1-2H3,(H,14,15,16)
InChIKeyWAXHPRFUBCCNRC-UHFFFAOYSA-N
XLogP1.87
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine (CID 79964597) is [5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine is Cc1nc(CCC(F)(F)F)nc(NN)c1C.
What is the InChIKey of [5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine?
The InChIKey is WAXHPRFUBCCNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-5-6(2)14-7(15-8(5)16-13)3-4-9(10,11)12/h3-4,13H2,1-2H3,(H,14,15,16).
What are the key properties of [5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine?
[5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine has a molecular weight of 234.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 79964597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).