5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile

C19H20N10S — CID 58106240

IUPAC5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile
SMILESCNc1nc(N2CCSCC2)cc(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1
InChIInChI=1S/C19H20N10S/c1-13-10-15(28-6-8-30-9-7-28)25-17(21-2)16(13)26-27-18-14(11-20)12-24-29(18)19-22-4-3-5-23-19/h3-5,10,12H,6-9H2,1-2H3,(H,21,25)/b27-26+
InChIKeyZVGZKOHJQSRPRM-CYYJNZCTSA-N
MW420.51 g/mol
LogP3.25
Rot. Bonds5

About 5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile

5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile (PubChem CID 58106240) has the molecular formula C19H20N10S and a molecular weight of 420.51 g/mol. Its IUPAC name is 5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile
PubChem CID58106240
Molecular FormulaC19H20N10S
Molecular Weight420.51 g/mol
Exact Mass420.16
IUPAC Name5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile
SMILESCNc1nc(N2CCSCC2)cc(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1
InChIInChI=1S/C19H20N10S/c1-13-10-15(28-6-8-30-9-7-28)25-17(21-2)16(13)26-27-18-14(11-20)12-24-29(18)19-22-4-3-5-23-19/h3-5,10,12H,6-9H2,1-2H3,(H,21,25)/b27-26+
InChIKeyZVGZKOHJQSRPRM-CYYJNZCTSA-N
XLogP3.25
TPSA120.27 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile (CID 58106240) is 5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile is CNc1nc(N2CCSCC2)cc(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1.
What is the InChIKey of 5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile?
The InChIKey is ZVGZKOHJQSRPRM-CYYJNZCTSA-N. The full InChI is InChI=1S/C19H20N10S/c1-13-10-15(28-6-8-30-9-7-28)25-17(21-2)16(13)26-27-18-14(11-20)12-24-29(18)19-22-4-3-5-23-19/h3-5,10,12H,6-9H2,1-2H3,(H,21,25)/b27-26+.
What are the key properties of 5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile?
5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile has a molecular weight of 420.51 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methyl-2-(methylamino)-6-thiomorpholin-4-yl-3-pyridinyl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 58106240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).