[2-methylsulfanyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine

C15H19N5S — CID 80903003

IUPAC[2-methylsulfanyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(N2CCC(c3ccccc3)C2)n1
InChIInChI=1S/C15H19N5S/c1-21-15-17-13(19-16)9-14(18-15)20-8-7-12(10-20)11-5-3-2-4-6-11/h2-6,9,12H,7-8,10,16H2,1H3,(H,17,18,19)
InChIKeyWQBIKBBIZMUZFR-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.48
Rot. Bonds4

About [2-methylsulfanyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine

[2-methylsulfanyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine (PubChem CID 80903003) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is [2-methylsulfanyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-methylsulfanyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
PubChem CID80903003
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC Name[2-methylsulfanyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(N2CCC(c3ccccc3)C2)n1
InChIInChI=1S/C15H19N5S/c1-21-15-17-13(19-16)9-14(18-15)20-8-7-12(10-20)11-5-3-2-4-6-11/h2-6,9,12H,7-8,10,16H2,1H3,(H,17,18,19)
InChIKeyWQBIKBBIZMUZFR-UHFFFAOYSA-N
XLogP2.48
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.48
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 [2-methylsulfanyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-methylsulfanyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine (CID 80903003) is [2-methylsulfanyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-methylsulfanyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-methylsulfanyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine is CSc1nc(NN)cc(N2CCC(c3ccccc3)C2)n1.
What is the InChIKey of [2-methylsulfanyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is WQBIKBBIZMUZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-21-15-17-13(19-16)9-14(18-15)20-8-7-12(10-20)11-5-3-2-4-6-11/h2-6,9,12H,7-8,10,16H2,1H3,(H,17,18,19).
What are the key properties of [2-methylsulfanyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine?
[2-methylsulfanyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 301.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylsulfanyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80903003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).