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

C16H17N11 — CID 58106248

IUPAC5-[[4-(dimethylamino)-6-methyl-2-(methylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile
SMILESCNc1nc(C)c(/N=N/c2c(C#N)cnn2-c2ncccn2)c(N(C)C)n1
InChIInChI=1S/C16H17N11/c1-10-12(14(26(3)4)23-15(18-2)22-10)24-25-13-11(8-17)9-21-27(13)16-19-6-5-7-20-16/h5-7,9H,1-4H3,(H,18,22,23)/b25-24+
InChIKeyWCRFTYGNPGPIBY-OCOZRVBESA-N
MW363.39 g/mol
LogP2.16
Rot. Bonds5

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

5-[[4-(dimethylamino)-6-methyl-2-(methylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile (PubChem CID 58106248) has the molecular formula C16H17N11 and a molecular weight of 363.39 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)-6-methyl-2-(methylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[[4-(dimethylamino)-6-methyl-2-(methylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile
PubChem CID58106248
Molecular FormulaC16H17N11
Molecular Weight363.39 g/mol
Exact Mass363.17
IUPAC Name5-[[4-(dimethylamino)-6-methyl-2-(methylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile
SMILESCNc1nc(C)c(/N=N/c2c(C#N)cnn2-c2ncccn2)c(N(C)C)n1
InChIInChI=1S/C16H17N11/c1-10-12(14(26(3)4)23-15(18-2)22-10)24-25-13-11(8-17)9-21-27(13)16-19-6-5-7-20-16/h5-7,9H,1-4H3,(H,18,22,23)/b25-24+
InChIKeyWCRFTYGNPGPIBY-OCOZRVBESA-N
XLogP2.16
TPSA133.16 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.39
LogP ≤ 52.16
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'}

Analyze 5-[[4-(dimethylamino)-6-methyl-2-(methylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dimethylamino)-6-methyl-2-(methylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-[[4-(dimethylamino)-6-methyl-2-(methylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile (CID 58106248) is 5-[[4-(dimethylamino)-6-methyl-2-(methylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[[4-(dimethylamino)-6-methyl-2-(methylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[[4-(dimethylamino)-6-methyl-2-(methylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile is CNc1nc(C)c(/N=N/c2c(C#N)cnn2-c2ncccn2)c(N(C)C)n1.
What is the InChIKey of 5-[[4-(dimethylamino)-6-methyl-2-(methylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile?
The InChIKey is WCRFTYGNPGPIBY-OCOZRVBESA-N. The full InChI is InChI=1S/C16H17N11/c1-10-12(14(26(3)4)23-15(18-2)22-10)24-25-13-11(8-17)9-21-27(13)16-19-6-5-7-20-16/h5-7,9H,1-4H3,(H,18,22,23)/b25-24+.
What are the key properties of 5-[[4-(dimethylamino)-6-methyl-2-(methylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile?
5-[[4-(dimethylamino)-6-methyl-2-(methylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile has a molecular weight of 363.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dimethylamino)-6-methyl-2-(methylamino)pyrimidin-5-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 58106248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).