[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C7H9F3N4O — CID 18544800

IUPAC[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCOc1nc(C)nc(NN)c1C(F)(F)F
InChIInChI=1S/C7H9F3N4O/c1-3-12-5(14-11)4(7(8,9)10)6(13-3)15-2/h11H2,1-2H3,(H,12,13,14)
InChIKeyHLHGMDVKOBBELW-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.10
Rot. Bonds2

About [6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 18544800) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is [6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID18544800
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCOc1nc(C)nc(NN)c1C(F)(F)F
InChIInChI=1S/C7H9F3N4O/c1-3-12-5(14-11)4(7(8,9)10)6(13-3)15-2/h11H2,1-2H3,(H,12,13,14)
InChIKeyHLHGMDVKOBBELW-UHFFFAOYSA-N
XLogP1.10
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.10
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 [6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 18544800) is [6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]hydrazine is COc1nc(C)nc(NN)c1C(F)(F)F.
What is the InChIKey of [6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is HLHGMDVKOBBELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-3-12-5(14-11)4(7(8,9)10)6(13-3)15-2/h11H2,1-2H3,(H,12,13,14).
What are the key properties of [6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 222.17 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 18544800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).