[2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine

C12H20N4S — CID 107766282

IUPAC[2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)C(C)Sc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C12H20N4S/c1-7(2)8(3)17-11-6-10(16-13)14-12(15-11)9-4-5-9/h6-9H,4-5,13H2,1-3H3,(H,14,15,16)
InChIKeyMXUONHONJVMRNQ-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.78
Rot. Bonds5

About [2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine

[2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine (PubChem CID 107766282) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is [2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
PubChem CID107766282
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name[2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)C(C)Sc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C12H20N4S/c1-7(2)8(3)17-11-6-10(16-13)14-12(15-11)9-4-5-9/h6-9H,4-5,13H2,1-3H3,(H,14,15,16)
InChIKeyMXUONHONJVMRNQ-UHFFFAOYSA-N
XLogP2.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.78
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 [2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-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

Related Compounds

4,6-Dihydrazino-2-heptylthiopyrimidine
CID 166450020
[6-(2-Methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776523
[6-Butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776530
[6-Ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776532
[6-Tert-butylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776533
[6-Propylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776534
[6-(2-Methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776559
[6-Butylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776563
[6-Propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776574
[6-Cyclohexylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776577
[6-Methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776579
[6-(3-Methylcyclohexyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776606

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine (CID 107766282) is [2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine is CC(C)C(C)Sc1cc(NN)nc(C2CC2)n1.
What is the InChIKey of [2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The InChIKey is MXUONHONJVMRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-7(2)8(3)17-11-6-10(16-13)14-12(15-11)9-4-5-9/h6-9H,4-5,13H2,1-3H3,(H,14,15,16).
What are the key properties of [2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine?
[2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine has a molecular weight of 252.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 107766282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).