(4-tert-butylsulfanyl-5-fluoropyrimidin-2-yl)hydrazine

C8H13FN4S — CID 80924413

IUPAC(4-tert-butylsulfanyl-5-fluoropyrimidin-2-yl)hydrazine
SMILESCC(C)(C)Sc1nc(NN)ncc1F
InChIInChI=1S/C8H13FN4S/c1-8(2,3)14-6-5(9)4-11-7(12-6)13-10/h4H,10H2,1-3H3,(H,11,12,13)
InChIKeyDMWRQUCJVZKZAA-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.79
Rot. Bonds2

About (4-tert-butylsulfanyl-5-fluoropyrimidin-2-yl)hydrazine

(4-tert-butylsulfanyl-5-fluoropyrimidin-2-yl)hydrazine (PubChem CID 80924413) has the molecular formula C8H13FN4S and a molecular weight of 216.28 g/mol. Its IUPAC name is (4-tert-butylsulfanyl-5-fluoropyrimidin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-tert-butylsulfanyl-5-fluoropyrimidin-2-yl)hydrazine
PubChem CID80924413
Molecular FormulaC8H13FN4S
Molecular Weight216.28 g/mol
Exact Mass216.08
IUPAC Name(4-tert-butylsulfanyl-5-fluoropyrimidin-2-yl)hydrazine
SMILESCC(C)(C)Sc1nc(NN)ncc1F
InChIInChI=1S/C8H13FN4S/c1-8(2,3)14-6-5(9)4-11-7(12-6)13-10/h4H,10H2,1-3H3,(H,11,12,13)
InChIKeyDMWRQUCJVZKZAA-UHFFFAOYSA-N
XLogP1.79
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.79
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 (4-tert-butylsulfanyl-5-fluoropyrimidin-2-yl)hydrazine?
The IUPAC name of (4-tert-butylsulfanyl-5-fluoropyrimidin-2-yl)hydrazine (CID 80924413) is (4-tert-butylsulfanyl-5-fluoropyrimidin-2-yl)hydrazine.
What is the SMILES notation for (4-tert-butylsulfanyl-5-fluoropyrimidin-2-yl)hydrazine?
The canonical SMILES for (4-tert-butylsulfanyl-5-fluoropyrimidin-2-yl)hydrazine is CC(C)(C)Sc1nc(NN)ncc1F.
What is the InChIKey of (4-tert-butylsulfanyl-5-fluoropyrimidin-2-yl)hydrazine?
The InChIKey is DMWRQUCJVZKZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4S/c1-8(2,3)14-6-5(9)4-11-7(12-6)13-10/h4H,10H2,1-3H3,(H,11,12,13).
What are the key properties of (4-tert-butylsulfanyl-5-fluoropyrimidin-2-yl)hydrazine?
(4-tert-butylsulfanyl-5-fluoropyrimidin-2-yl)hydrazine has a molecular weight of 216.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylsulfanyl-5-fluoropyrimidin-2-yl)hydrazine is sourced from PubChem (CID 80924413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).