[6-[(4-chlorophenyl)methylsulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine

C14H17ClN4S — CID 114793145

IUPAC[6-[(4-chlorophenyl)methylsulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1nc(NN)cc(SCc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17ClN4S/c1-9(2)14-17-12(19-16)7-13(18-14)20-8-10-3-5-11(15)6-4-10/h3-7,9H,8,16H2,1-2H3,(H,17,18,19)
InChIKeyOWDPEDWQCBLCFH-UHFFFAOYSA-N
MW308.84 g/mol
LogP3.83
Rot. Bonds5

About [6-[(4-chlorophenyl)methylsulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine

[6-[(4-chlorophenyl)methylsulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 114793145) has the molecular formula C14H17ClN4S and a molecular weight of 308.84 g/mol. Its IUPAC name is [6-[(4-chlorophenyl)methylsulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[(4-chlorophenyl)methylsulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID114793145
Molecular FormulaC14H17ClN4S
Molecular Weight308.84 g/mol
Exact Mass308.09
IUPAC Name[6-[(4-chlorophenyl)methylsulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1nc(NN)cc(SCc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17ClN4S/c1-9(2)14-17-12(19-16)7-13(18-14)20-8-10-3-5-11(15)6-4-10/h3-7,9H,8,16H2,1-2H3,(H,17,18,19)
InChIKeyOWDPEDWQCBLCFH-UHFFFAOYSA-N
XLogP3.83
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.84
LogP ≤ 53.83
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
[6-[(2-chlorophenyl)methylsulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 103291599
[6-[(4-chlorophenyl)methylsulfanyl]-2-cyclopropylpyrimidin-4-yl]hydrazine
CID 114793160
[2-propan-2-yl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80973046
[6-[(4-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980065
3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80980092
6-[(4-chlorophenyl)methylsulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 114793040
4-[(4-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-2-amine
CID 113221003
N-(2,6-dichlorophenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80969189
N-(5-chloro-2-methylphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968585
6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80962306
2-tert-butyl-6-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-amine
CID 114793059

Frequently Asked Questions

What is the IUPAC name of [6-[(4-chlorophenyl)methylsulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[(4-chlorophenyl)methylsulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine (CID 114793145) is [6-[(4-chlorophenyl)methylsulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[(4-chlorophenyl)methylsulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[(4-chlorophenyl)methylsulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine is CC(C)c1nc(NN)cc(SCc2ccc(Cl)cc2)n1.
What is the InChIKey of [6-[(4-chlorophenyl)methylsulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is OWDPEDWQCBLCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4S/c1-9(2)14-17-12(19-16)7-13(18-14)20-8-10-3-5-11(15)6-4-10/h3-7,9H,8,16H2,1-2H3,(H,17,18,19).
What are the key properties of [6-[(4-chlorophenyl)methylsulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine?
[6-[(4-chlorophenyl)methylsulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 308.84 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-chlorophenyl)methylsulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 114793145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).