[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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Related Compounds

[6-tert-butyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
CID 66072321
[6-tert-butyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]hydrazine
CID 65132213
[2-[(4-bromophenyl)methyl]-6-tert-butylpyrimidin-4-yl]hydrazine
CID 62252179
6-ethyl-N-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66066020
4-tert-butyl-6-chloro-2-[(4-fluorophenyl)sulfanylmethyl]pyrimidine
CID 66073230
[2-[(4-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine
CID 66143033
[6-tert-butyl-2-(propoxymethyl)pyrimidin-4-yl]hydrazine
CID 62251621
[2-(phenylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 65143778
[6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
CID 66086445
6-tert-butyl-N-ethyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 63487149
[6-tert-butyl-2-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]hydrazine
CID 115525374
[6-tert-butyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-yl]hydrazine
CID 113457290

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).