6-(4-fluorophenyl)-4-hydrazinyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile

C11H8FN5S — CID 73351046

IUPAC6-(4-fluorophenyl)-4-hydrazinyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(NN)nc(=S)[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C11H8FN5S/c12-7-3-1-6(2-4-7)9-8(5-13)10(17-14)16-11(18)15-9/h1-4H,14H2,(H2,15,16,17,18)
InChIKeyVIYZUAJNMVKGNF-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.10
Rot. Bonds2

About 6-(4-fluorophenyl)-4-hydrazinyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile

6-(4-fluorophenyl)-4-hydrazinyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile (PubChem CID 73351046) has the molecular formula C11H8FN5S and a molecular weight of 261.29 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-hydrazinyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-hydrazinyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
PubChem CID73351046
Molecular FormulaC11H8FN5S
Molecular Weight261.29 g/mol
Exact Mass261.05
IUPAC Name6-(4-fluorophenyl)-4-hydrazinyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(NN)nc(=S)[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C11H8FN5S/c12-7-3-1-6(2-4-7)9-8(5-13)10(17-14)16-11(18)15-9/h1-4H,14H2,(H2,15,16,17,18)
InChIKeyVIYZUAJNMVKGNF-UHFFFAOYSA-N
XLogP2.10
TPSA90.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-hydrazinyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 6-(4-fluorophenyl)-4-hydrazinyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile (CID 73351046) is 6-(4-fluorophenyl)-4-hydrazinyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 6-(4-fluorophenyl)-4-hydrazinyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 6-(4-fluorophenyl)-4-hydrazinyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile is N#Cc1c(NN)nc(=S)[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-4-hydrazinyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile?
The InChIKey is VIYZUAJNMVKGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5S/c12-7-3-1-6(2-4-7)9-8(5-13)10(17-14)16-11(18)15-9/h1-4H,14H2,(H2,15,16,17,18).
What are the key properties of 6-(4-fluorophenyl)-4-hydrazinyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile?
6-(4-fluorophenyl)-4-hydrazinyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile has a molecular weight of 261.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-hydrazinyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 73351046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).