[6-[(4-chlorophenyl)methylsulfanyl]-5-propylpyrimidin-4-yl]hydrazine

C14H17ClN4S — CID 114793144

IUPAC[6-[(4-chlorophenyl)methylsulfanyl]-5-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1c(NN)ncnc1SCc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN4S/c1-2-3-12-13(19-16)17-9-18-14(12)20-8-10-4-6-11(15)7-5-10/h4-7,9H,2-3,8,16H2,1H3,(H,17,18,19)
InChIKeyMNBRDNMNGAXYLK-UHFFFAOYSA-N
MW308.84 g/mol
LogP3.66
Rot. Bonds6

About [6-[(4-chlorophenyl)methylsulfanyl]-5-propylpyrimidin-4-yl]hydrazine

[6-[(4-chlorophenyl)methylsulfanyl]-5-propylpyrimidin-4-yl]hydrazine (PubChem CID 114793144) has the molecular formula C14H17ClN4S and a molecular weight of 308.84 g/mol. Its IUPAC name is [6-[(4-chlorophenyl)methylsulfanyl]-5-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[(4-chlorophenyl)methylsulfanyl]-5-propylpyrimidin-4-yl]hydrazine
PubChem CID114793144
Molecular FormulaC14H17ClN4S
Molecular Weight308.84 g/mol
Exact Mass308.09
IUPAC Name[6-[(4-chlorophenyl)methylsulfanyl]-5-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1c(NN)ncnc1SCc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN4S/c1-2-3-12-13(19-16)17-9-18-14(12)20-8-10-4-6-11(15)7-5-10/h4-7,9H,2-3,8,16H2,1H3,(H,17,18,19)
InChIKeyMNBRDNMNGAXYLK-UHFFFAOYSA-N
XLogP3.66
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.84
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-[(4-chlorophenyl)methylsulfanyl]-5-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[(4-chlorophenyl)methylsulfanyl]-5-propylpyrimidin-4-yl]hydrazine (CID 114793144) is [6-[(4-chlorophenyl)methylsulfanyl]-5-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[(4-chlorophenyl)methylsulfanyl]-5-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[(4-chlorophenyl)methylsulfanyl]-5-propylpyrimidin-4-yl]hydrazine is CCCc1c(NN)ncnc1SCc1ccc(Cl)cc1.
What is the InChIKey of [6-[(4-chlorophenyl)methylsulfanyl]-5-propylpyrimidin-4-yl]hydrazine?
The InChIKey is MNBRDNMNGAXYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4S/c1-2-3-12-13(19-16)17-9-18-14(12)20-8-10-4-6-11(15)7-5-10/h4-7,9H,2-3,8,16H2,1H3,(H,17,18,19).
What are the key properties of [6-[(4-chlorophenyl)methylsulfanyl]-5-propylpyrimidin-4-yl]hydrazine?
[6-[(4-chlorophenyl)methylsulfanyl]-5-propylpyrimidin-4-yl]hydrazine has a molecular weight of 308.84 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-chlorophenyl)methylsulfanyl]-5-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 114793144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).