(6-ethylsulfanyl-2-phenylpyrimidin-4-yl)hydrazine

C12H14N4S — CID 112560009

IUPAC(6-ethylsulfanyl-2-phenylpyrimidin-4-yl)hydrazine
SMILESCCSc1cc(NN)nc(-c2ccccc2)n1
InChIInChI=1S/C12H14N4S/c1-2-17-11-8-10(16-13)14-12(15-11)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3,(H,14,15,16)
InChIKeyMOGPBZVRAYBGEZ-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.54
Rot. Bonds4

About (6-ethylsulfanyl-2-phenylpyrimidin-4-yl)hydrazine

(6-ethylsulfanyl-2-phenylpyrimidin-4-yl)hydrazine (PubChem CID 112560009) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is (6-ethylsulfanyl-2-phenylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(6-ethylsulfanyl-2-phenylpyrimidin-4-yl)hydrazine
PubChem CID112560009
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name(6-ethylsulfanyl-2-phenylpyrimidin-4-yl)hydrazine
SMILESCCSc1cc(NN)nc(-c2ccccc2)n1
InChIInChI=1S/C12H14N4S/c1-2-17-11-8-10(16-13)14-12(15-11)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3,(H,14,15,16)
InChIKeyMOGPBZVRAYBGEZ-UHFFFAOYSA-N
XLogP2.54
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.54
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'}

Analyze (6-ethylsulfanyl-2-phenylpyrimidin-4-yl)hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-ethylsulfanyl-2-phenylpyrimidin-4-yl)hydrazine?
The IUPAC name of (6-ethylsulfanyl-2-phenylpyrimidin-4-yl)hydrazine (CID 112560009) is (6-ethylsulfanyl-2-phenylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (6-ethylsulfanyl-2-phenylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (6-ethylsulfanyl-2-phenylpyrimidin-4-yl)hydrazine is CCSc1cc(NN)nc(-c2ccccc2)n1.
What is the InChIKey of (6-ethylsulfanyl-2-phenylpyrimidin-4-yl)hydrazine?
The InChIKey is MOGPBZVRAYBGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-2-17-11-8-10(16-13)14-12(15-11)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3,(H,14,15,16).
What are the key properties of (6-ethylsulfanyl-2-phenylpyrimidin-4-yl)hydrazine?
(6-ethylsulfanyl-2-phenylpyrimidin-4-yl)hydrazine has a molecular weight of 246.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethylsulfanyl-2-phenylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 112560009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).