[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine

C15H19N5S — CID 80909047

IUPAC[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(N2c3ccccc3CCC2C)n1
InChIInChI=1S/C15H19N5S/c1-10-7-8-11-5-3-4-6-12(11)20(10)14-9-13(19-16)17-15(18-14)21-2/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,18,19)
InChIKeyPWPBCRNVHCMNQL-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.96
Rot. Bonds3

About [6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine

[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine (PubChem CID 80909047) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is [6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
PubChem CID80909047
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC Name[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(N2c3ccccc3CCC2C)n1
InChIInChI=1S/C15H19N5S/c1-10-7-8-11-5-3-4-6-12(11)20(10)14-9-13(19-16)17-15(18-14)21-2/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,18,19)
InChIKeyPWPBCRNVHCMNQL-UHFFFAOYSA-N
XLogP2.96
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine (CID 80909047) is [6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine is CSc1nc(NN)cc(N2c3ccccc3CCC2C)n1.
What is the InChIKey of [6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The InChIKey is PWPBCRNVHCMNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-10-7-8-11-5-3-4-6-12(11)20(10)14-9-13(19-16)17-15(18-14)21-2/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,18,19).
What are the key properties of [6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine has a molecular weight of 301.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80909047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).