(2-tert-butyl-5-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine

C14H19N5S — CID 80996665

IUPAC(2-tert-butyl-5-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
SMILESCc1c(NN)nc(C(C)(C)C)nc1Sc1ccncc1
InChIInChI=1S/C14H19N5S/c1-9-11(19-15)17-13(14(2,3)4)18-12(9)20-10-5-7-16-8-6-10/h5-8H,15H2,1-4H3,(H,17,18,19)
InChIKeyPYLUGZUANXVUEX-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.91
Rot. Bonds3

About (2-tert-butyl-5-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine

(2-tert-butyl-5-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine (PubChem CID 80996665) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is (2-tert-butyl-5-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-tert-butyl-5-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
PubChem CID80996665
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name(2-tert-butyl-5-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
SMILESCc1c(NN)nc(C(C)(C)C)nc1Sc1ccncc1
InChIInChI=1S/C14H19N5S/c1-9-11(19-15)17-13(14(2,3)4)18-12(9)20-10-5-7-16-8-6-10/h5-8H,15H2,1-4H3,(H,17,18,19)
InChIKeyPYLUGZUANXVUEX-UHFFFAOYSA-N
XLogP2.91
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2-tert-butyl-5-methyl-6-pyridin-4-ylsulfanylpyrimidin-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 (2-tert-butyl-5-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine?
The IUPAC name of (2-tert-butyl-5-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine (CID 80996665) is (2-tert-butyl-5-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (2-tert-butyl-5-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (2-tert-butyl-5-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine is Cc1c(NN)nc(C(C)(C)C)nc1Sc1ccncc1.
What is the InChIKey of (2-tert-butyl-5-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine?
The InChIKey is PYLUGZUANXVUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-9-11(19-15)17-13(14(2,3)4)18-12(9)20-10-5-7-16-8-6-10/h5-8H,15H2,1-4H3,(H,17,18,19).
What are the key properties of (2-tert-butyl-5-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine?
(2-tert-butyl-5-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine has a molecular weight of 289.41 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-5-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 80996665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).