[6-cyclopropyl-2-(4-ethylsulfanylphenyl)pyrimidin-4-yl]hydrazine

C15H18N4S — CID 106849612

IUPAC[6-cyclopropyl-2-(4-ethylsulfanylphenyl)pyrimidin-4-yl]hydrazine
SMILESCCSc1ccc(-c2nc(NN)cc(C3CC3)n2)cc1
InChIInChI=1S/C15H18N4S/c1-2-20-12-7-5-11(6-8-12)15-17-13(10-3-4-10)9-14(18-15)19-16/h5-10H,2-4,16H2,1H3,(H,17,18,19)
InChIKeyYQYVSKSBWFUQOC-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.42
Rot. Bonds5

About [6-cyclopropyl-2-(4-ethylsulfanylphenyl)pyrimidin-4-yl]hydrazine

[6-cyclopropyl-2-(4-ethylsulfanylphenyl)pyrimidin-4-yl]hydrazine (PubChem CID 106849612) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is [6-cyclopropyl-2-(4-ethylsulfanylphenyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-cyclopropyl-2-(4-ethylsulfanylphenyl)pyrimidin-4-yl]hydrazine
PubChem CID106849612
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name[6-cyclopropyl-2-(4-ethylsulfanylphenyl)pyrimidin-4-yl]hydrazine
SMILESCCSc1ccc(-c2nc(NN)cc(C3CC3)n2)cc1
InChIInChI=1S/C15H18N4S/c1-2-20-12-7-5-11(6-8-12)15-17-13(10-3-4-10)9-14(18-15)19-16/h5-10H,2-4,16H2,1H3,(H,17,18,19)
InChIKeyYQYVSKSBWFUQOC-UHFFFAOYSA-N
XLogP3.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.42
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 [6-cyclopropyl-2-(4-ethylsulfanylphenyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-cyclopropyl-2-(4-ethylsulfanylphenyl)pyrimidin-4-yl]hydrazine (CID 106849612) is [6-cyclopropyl-2-(4-ethylsulfanylphenyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-cyclopropyl-2-(4-ethylsulfanylphenyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-cyclopropyl-2-(4-ethylsulfanylphenyl)pyrimidin-4-yl]hydrazine is CCSc1ccc(-c2nc(NN)cc(C3CC3)n2)cc1.
What is the InChIKey of [6-cyclopropyl-2-(4-ethylsulfanylphenyl)pyrimidin-4-yl]hydrazine?
The InChIKey is YQYVSKSBWFUQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-2-20-12-7-5-11(6-8-12)15-17-13(10-3-4-10)9-14(18-15)19-16/h5-10H,2-4,16H2,1H3,(H,17,18,19).
What are the key properties of [6-cyclopropyl-2-(4-ethylsulfanylphenyl)pyrimidin-4-yl]hydrazine?
[6-cyclopropyl-2-(4-ethylsulfanylphenyl)pyrimidin-4-yl]hydrazine has a molecular weight of 286.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyclopropyl-2-(4-ethylsulfanylphenyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106849612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).