[5-methyl-2-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine

C11H17F3N4O — CID 81001538

IUPAC[5-methyl-2-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine
SMILESCCCc1nc(NN)c(C)c(OC(C)C(F)(F)F)n1
InChIInChI=1S/C11H17F3N4O/c1-4-5-8-16-9(18-15)6(2)10(17-8)19-7(3)11(12,13)14/h7H,4-5,15H2,1-3H3,(H,16,17,18)
InChIKeyXELJVYPDLALIFL-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.35
Rot. Bonds5

About [5-methyl-2-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine

[5-methyl-2-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine (PubChem CID 81001538) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is [5-methyl-2-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-methyl-2-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine
PubChem CID81001538
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name[5-methyl-2-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine
SMILESCCCc1nc(NN)c(C)c(OC(C)C(F)(F)F)n1
InChIInChI=1S/C11H17F3N4O/c1-4-5-8-16-9(18-15)6(2)10(17-8)19-7(3)11(12,13)14/h7H,4-5,15H2,1-3H3,(H,16,17,18)
InChIKeyXELJVYPDLALIFL-UHFFFAOYSA-N
XLogP2.35
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.35
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 [5-methyl-2-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [5-methyl-2-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine (CID 81001538) is [5-methyl-2-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-methyl-2-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-methyl-2-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine is CCCc1nc(NN)c(C)c(OC(C)C(F)(F)F)n1.
What is the InChIKey of [5-methyl-2-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine?
The InChIKey is XELJVYPDLALIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-4-5-8-16-9(18-15)6(2)10(17-8)19-7(3)11(12,13)14/h7H,4-5,15H2,1-3H3,(H,16,17,18).
What are the key properties of [5-methyl-2-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine?
[5-methyl-2-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine has a molecular weight of 278.28 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81001538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).