5,6-dimethyl-N-tritylpyrimidin-4-amine

C25H23N3 — CID 138738416

IUPAC5,6-dimethyl-N-tritylpyrimidin-4-amine
SMILESCc1ncnc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C25H23N3/c1-19-20(2)26-18-27-24(19)28-25(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-18H,1-2H3,(H,26,27,28)
InChIKeyJXZLKGAEJVGRJD-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.50
Rot. Bonds5

About 5,6-dimethyl-N-tritylpyrimidin-4-amine

5,6-dimethyl-N-tritylpyrimidin-4-amine (PubChem CID 138738416) has the molecular formula C25H23N3 and a molecular weight of 365.48 g/mol. Its IUPAC name is 5,6-dimethyl-N-tritylpyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-tritylpyrimidin-4-amine
PubChem CID138738416
Molecular FormulaC25H23N3
Molecular Weight365.48 g/mol
Exact Mass365.19
IUPAC Name5,6-dimethyl-N-tritylpyrimidin-4-amine
SMILESCc1ncnc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C25H23N3/c1-19-20(2)26-18-27-24(19)28-25(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-18H,1-2H3,(H,26,27,28)
InChIKeyJXZLKGAEJVGRJD-UHFFFAOYSA-N
XLogP5.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 5,6-dimethyl-N-tritylpyrimidin-4-amine 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 5,6-dimethyl-N-tritylpyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-tritylpyrimidin-4-amine (CID 138738416) is 5,6-dimethyl-N-tritylpyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-tritylpyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-tritylpyrimidin-4-amine is Cc1ncnc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)c1C.
What is the InChIKey of 5,6-dimethyl-N-tritylpyrimidin-4-amine?
The InChIKey is JXZLKGAEJVGRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3/c1-19-20(2)26-18-27-24(19)28-25(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-18H,1-2H3,(H,26,27,28).
What are the key properties of 5,6-dimethyl-N-tritylpyrimidin-4-amine?
5,6-dimethyl-N-tritylpyrimidin-4-amine has a molecular weight of 365.48 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-tritylpyrimidin-4-amine is sourced from PubChem (CID 138738416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).