(2-methylsulfanyl-5-phenyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine

C15H19N5S2 — CID 13393631

IUPAC(2-methylsulfanyl-5-phenyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
SMILESCSc1nc(NN)c(-c2ccccc2)c(N2CCSCC2)n1
InChIInChI=1S/C15H19N5S2/c1-21-15-17-13(19-16)12(11-5-3-2-4-6-11)14(18-15)20-7-9-22-10-8-20/h2-6H,7-10,16H2,1H3,(H,17,18,19)
InChIKeyCELDHBGCMCTJFR-UHFFFAOYSA-N
MW333.49 g/mol
LogP2.70
Rot. Bonds4

About (2-methylsulfanyl-5-phenyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine

(2-methylsulfanyl-5-phenyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine (PubChem CID 13393631) has the molecular formula C15H19N5S2 and a molecular weight of 333.49 g/mol. Its IUPAC name is (2-methylsulfanyl-5-phenyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-methylsulfanyl-5-phenyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
PubChem CID13393631
Molecular FormulaC15H19N5S2
Molecular Weight333.49 g/mol
Exact Mass333.11
IUPAC Name(2-methylsulfanyl-5-phenyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
SMILESCSc1nc(NN)c(-c2ccccc2)c(N2CCSCC2)n1
InChIInChI=1S/C15H19N5S2/c1-21-15-17-13(19-16)12(11-5-3-2-4-6-11)14(18-15)20-7-9-22-10-8-20/h2-6H,7-10,16H2,1H3,(H,17,18,19)
InChIKeyCELDHBGCMCTJFR-UHFFFAOYSA-N
XLogP2.70
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.49
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-5-phenyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine?
The IUPAC name of (2-methylsulfanyl-5-phenyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine (CID 13393631) is (2-methylsulfanyl-5-phenyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (2-methylsulfanyl-5-phenyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (2-methylsulfanyl-5-phenyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine is CSc1nc(NN)c(-c2ccccc2)c(N2CCSCC2)n1.
What is the InChIKey of (2-methylsulfanyl-5-phenyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine?
The InChIKey is CELDHBGCMCTJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S2/c1-21-15-17-13(19-16)12(11-5-3-2-4-6-11)14(18-15)20-7-9-22-10-8-20/h2-6H,7-10,16H2,1H3,(H,17,18,19).
What are the key properties of (2-methylsulfanyl-5-phenyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine?
(2-methylsulfanyl-5-phenyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine has a molecular weight of 333.49 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanyl-5-phenyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 13393631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).