[4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine

C14H18N4S — CID 80922374

IUPAC[4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine
SMILESCc1cc(Sc2ccc(C(C)C)cc2)nc(NN)n1
InChIInChI=1S/C14H18N4S/c1-9(2)11-4-6-12(7-5-11)19-13-8-10(3)16-14(17-13)18-15/h4-9H,15H2,1-3H3,(H,16,17,18)
InChIKeyJJFGWCLPHACRNZ-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.35
Rot. Bonds4

About [4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine

[4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine (PubChem CID 80922374) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is [4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine
PubChem CID80922374
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name[4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine
SMILESCc1cc(Sc2ccc(C(C)C)cc2)nc(NN)n1
InChIInChI=1S/C14H18N4S/c1-9(2)11-4-6-12(7-5-11)19-13-8-10(3)16-14(17-13)18-15/h4-9H,15H2,1-3H3,(H,16,17,18)
InChIKeyJJFGWCLPHACRNZ-UHFFFAOYSA-N
XLogP3.35
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.35
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

[4-(3,4-dichlorophenyl)sulfanyl-6-methylpyrimidin-2-yl]hydrazine
CID 80929995
[2-propan-2-yl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80973046
(4,6-dimethylpyrimidin-2-yl)hydrazine;hydrochloride
CID 134128947
[4-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine
CID 80923071
N,4-dimethyl-6-naphthalen-2-ylsulfanylpyrimidin-2-amine
CID 80884550
tris((4,6-dimethylpyrimidin-2-yl)hydrazine);nickel(2+);diperchlorate
CID 71381414
[4-(1H-indol-2-ylsulfanyl)-6-methylpyrimidin-2-yl]hydrazine
CID 80926830
[6-(4-chlorophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980286
2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80925407
(1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 55238909
5-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80931417
N'-hydroxy-6-methyl-2-(4-propan-2-ylphenyl)sulfanylpyrimidine-4-carboximidamide
CID 136678340

Frequently Asked Questions

What is the IUPAC name of [4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine?
The IUPAC name of [4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine (CID 80922374) is [4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine is Cc1cc(Sc2ccc(C(C)C)cc2)nc(NN)n1.
What is the InChIKey of [4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine?
The InChIKey is JJFGWCLPHACRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-9(2)11-4-6-12(7-5-11)19-13-8-10(3)16-14(17-13)18-15/h4-9H,15H2,1-3H3,(H,16,17,18).
What are the key properties of [4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine?
[4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine has a molecular weight of 274.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80922374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).