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

C16H22N4S — CID 80973046

IUPAC[2-propan-2-yl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1ccc(Sc2cc(NN)nc(C(C)C)n2)cc1
InChIInChI=1S/C16H22N4S/c1-10(2)12-5-7-13(8-6-12)21-15-9-14(20-17)18-16(19-15)11(3)4/h5-11H,17H2,1-4H3,(H,18,19,20)
InChIKeyLNTDPAHDPPLVKR-UHFFFAOYSA-N
MW302.45 g/mol
LogP4.16
Rot. Bonds5

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

[2-propan-2-yl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine (PubChem CID 80973046) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is [2-propan-2-yl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-propan-2-yl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine
PubChem CID80973046
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name[2-propan-2-yl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1ccc(Sc2cc(NN)nc(C(C)C)n2)cc1
InChIInChI=1S/C16H22N4S/c1-10(2)12-5-7-13(8-6-12)21-15-9-14(20-17)18-16(19-15)11(3)4/h5-11H,17H2,1-4H3,(H,18,19,20)
InChIKeyLNTDPAHDPPLVKR-UHFFFAOYSA-N
XLogP4.16
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 54.16
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-(4-chlorophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980286
[4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80922374
[6-[(4-chlorophenyl)methylsulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 114793145
[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980095
[6-[(2-chlorophenyl)methylsulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 103291599
3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80980092
3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 80979774
6-(4-bromophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80962300
N-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine
CID 80942803
N-(2,6-dichlorophenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80969189
[6-(4-methoxyphenyl)sulfanyl-2-methylpyrimidin-4-yl]hydrazine
CID 80930601
6-(3,4-dichlorophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80963744

Frequently Asked Questions

What is the IUPAC name of [2-propan-2-yl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-propan-2-yl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine (CID 80973046) is [2-propan-2-yl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-propan-2-yl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-propan-2-yl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine is CC(C)c1ccc(Sc2cc(NN)nc(C(C)C)n2)cc1.
What is the InChIKey of [2-propan-2-yl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine?
The InChIKey is LNTDPAHDPPLVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-10(2)12-5-7-13(8-6-12)21-15-9-14(20-17)18-16(19-15)11(3)4/h5-11H,17H2,1-4H3,(H,18,19,20).
What are the key properties of [2-propan-2-yl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine?
[2-propan-2-yl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine has a molecular weight of 302.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propan-2-yl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80973046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).