[6-tert-butyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine

C16H22N4S — CID 66065031

IUPAC[6-tert-butyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
SMILESCc1ccc(SCc2nc(NN)cc(C(C)(C)C)n2)cc1
InChIInChI=1S/C16H22N4S/c1-11-5-7-12(8-6-11)21-10-15-18-13(16(2,3)4)9-14(19-15)20-17/h5-9H,10,17H2,1-4H3,(H,18,19,20)
InChIKeyUKBWTEAHLCWRGL-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.66
Rot. Bonds4

About [6-tert-butyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine

[6-tert-butyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine (PubChem CID 66065031) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is [6-tert-butyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-tert-butyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
PubChem CID66065031
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name[6-tert-butyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
SMILESCc1ccc(SCc2nc(NN)cc(C(C)(C)C)n2)cc1
InChIInChI=1S/C16H22N4S/c1-11-5-7-12(8-6-11)21-10-15-18-13(16(2,3)4)9-14(19-15)20-17/h5-9H,10,17H2,1-4H3,(H,18,19,20)
InChIKeyUKBWTEAHLCWRGL-UHFFFAOYSA-N
XLogP3.66
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.66
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-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-tert-butyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine (CID 66065031) is [6-tert-butyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-tert-butyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-tert-butyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine is Cc1ccc(SCc2nc(NN)cc(C(C)(C)C)n2)cc1.
What is the InChIKey of [6-tert-butyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine?
The InChIKey is UKBWTEAHLCWRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-11-5-7-12(8-6-11)21-10-15-18-13(16(2,3)4)9-14(19-15)20-17/h5-9H,10,17H2,1-4H3,(H,18,19,20).
What are the key properties of [6-tert-butyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine?
[6-tert-butyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine has a molecular weight of 302.45 g/mol, XLogP of 3.66, 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-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 66065031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).