[6-cyclopropyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-yl]hydrazine

C13H16N4S — CID 63354738

IUPAC[6-cyclopropyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-yl]hydrazine
SMILESCCc1ccc(-c2nc(NN)cc(C3CC3)n2)s1
InChIInChI=1S/C13H16N4S/c1-2-9-5-6-11(18-9)13-15-10(8-3-4-8)7-12(16-13)17-14/h5-8H,2-4,14H2,1H3,(H,15,16,17)
InChIKeyXFGJFAGYYZJACB-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.93
Rot. Bonds4

About [6-cyclopropyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-yl]hydrazine

[6-cyclopropyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-yl]hydrazine (PubChem CID 63354738) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is [6-cyclopropyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-cyclopropyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-yl]hydrazine
PubChem CID63354738
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name[6-cyclopropyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-yl]hydrazine
SMILESCCc1ccc(-c2nc(NN)cc(C3CC3)n2)s1
InChIInChI=1S/C13H16N4S/c1-2-9-5-6-11(18-9)13-15-10(8-3-4-8)7-12(16-13)17-14/h5-8H,2-4,14H2,1H3,(H,15,16,17)
InChIKeyXFGJFAGYYZJACB-UHFFFAOYSA-N
XLogP2.93
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.93
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-(5-ethylthiophen-2-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-cyclopropyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-yl]hydrazine (CID 63354738) is [6-cyclopropyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-cyclopropyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-cyclopropyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-yl]hydrazine is CCc1ccc(-c2nc(NN)cc(C3CC3)n2)s1.
What is the InChIKey of [6-cyclopropyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is XFGJFAGYYZJACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-2-9-5-6-11(18-9)13-15-10(8-3-4-8)7-12(16-13)17-14/h5-8H,2-4,14H2,1H3,(H,15,16,17).
What are the key properties of [6-cyclopropyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-yl]hydrazine?
[6-cyclopropyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 260.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyclopropyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 63354738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).