[6-tert-butyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]hydrazine

C12H22N4S — CID 65132213

IUPAC[6-tert-butyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)SCc1nc(NN)cc(C(C)(C)C)n1
InChIInChI=1S/C12H22N4S/c1-8(2)17-7-11-14-9(12(3,4)5)6-10(15-11)16-13/h6,8H,7,13H2,1-5H3,(H,14,15,16)
InChIKeyQVAGPOCFCAEWTD-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.70
Rot. Bonds4

About [6-tert-butyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]hydrazine

[6-tert-butyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]hydrazine (PubChem CID 65132213) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is [6-tert-butyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-tert-butyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]hydrazine
PubChem CID65132213
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name[6-tert-butyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)SCc1nc(NN)cc(C(C)(C)C)n1
InChIInChI=1S/C12H22N4S/c1-8(2)17-7-11-14-9(12(3,4)5)6-10(15-11)16-13/h6,8H,7,13H2,1-5H3,(H,14,15,16)
InChIKeyQVAGPOCFCAEWTD-UHFFFAOYSA-N
XLogP2.70
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.70
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-tert-butyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-tert-butyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]hydrazine (CID 65132213) is [6-tert-butyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-tert-butyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-tert-butyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]hydrazine is CC(C)SCc1nc(NN)cc(C(C)(C)C)n1.
What is the InChIKey of [6-tert-butyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is QVAGPOCFCAEWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-8(2)17-7-11-14-9(12(3,4)5)6-10(15-11)16-13/h6,8H,7,13H2,1-5H3,(H,14,15,16).
What are the key properties of [6-tert-butyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]hydrazine?
[6-tert-butyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 254.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-tert-butyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 65132213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).