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

C11H18N4S — CID 65129298

IUPAC[6-cyclopropyl-2-(propylsulfanylmethyl)pyrimidin-4-yl]hydrazine
SMILESCCCSCc1nc(NN)cc(C2CC2)n1
InChIInChI=1S/C11H18N4S/c1-2-5-16-7-11-13-9(8-3-4-8)6-10(14-11)15-12/h6,8H,2-5,7,12H2,1H3,(H,13,14,15)
InChIKeyAYZCHEUUCHFGBJ-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.28
Rot. Bonds6

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

[6-cyclopropyl-2-(propylsulfanylmethyl)pyrimidin-4-yl]hydrazine (PubChem CID 65129298) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is [6-cyclopropyl-2-(propylsulfanylmethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-cyclopropyl-2-(propylsulfanylmethyl)pyrimidin-4-yl]hydrazine
PubChem CID65129298
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name[6-cyclopropyl-2-(propylsulfanylmethyl)pyrimidin-4-yl]hydrazine
SMILESCCCSCc1nc(NN)cc(C2CC2)n1
InChIInChI=1S/C11H18N4S/c1-2-5-16-7-11-13-9(8-3-4-8)6-10(14-11)15-12/h6,8H,2-5,7,12H2,1H3,(H,13,14,15)
InChIKeyAYZCHEUUCHFGBJ-UHFFFAOYSA-N
XLogP2.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(propylsulfanylmethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-cyclopropyl-2-(propylsulfanylmethyl)pyrimidin-4-yl]hydrazine (CID 65129298) is [6-cyclopropyl-2-(propylsulfanylmethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-cyclopropyl-2-(propylsulfanylmethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-cyclopropyl-2-(propylsulfanylmethyl)pyrimidin-4-yl]hydrazine is CCCSCc1nc(NN)cc(C2CC2)n1.
What is the InChIKey of [6-cyclopropyl-2-(propylsulfanylmethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is AYZCHEUUCHFGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-2-5-16-7-11-13-9(8-3-4-8)6-10(14-11)15-12/h6,8H,2-5,7,12H2,1H3,(H,13,14,15).
What are the key properties of [6-cyclopropyl-2-(propylsulfanylmethyl)pyrimidin-4-yl]hydrazine?
[6-cyclopropyl-2-(propylsulfanylmethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 238.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyclopropyl-2-(propylsulfanylmethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 65129298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).