N-(2,5-diphenyl-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine

C20H18N6 — CID 13033530

IUPACN-(2,5-diphenyl-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2nc(-c3ccccc3)nn2-c2ccccc2)n1
InChIInChI=1S/C20H18N6/c1-14-13-15(2)22-19(21-14)24-20-23-18(16-9-5-3-6-10-16)25-26(20)17-11-7-4-8-12-17/h3-13H,1-2H3,(H,21,22,23,24,25)
InChIKeyVINMIEHBSUWWPW-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.08
Rot. Bonds4

About N-(2,5-diphenyl-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine

N-(2,5-diphenyl-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine (PubChem CID 13033530) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-(2,5-diphenyl-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,5-diphenyl-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine
PubChem CID13033530
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC NameN-(2,5-diphenyl-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2nc(-c3ccccc3)nn2-c2ccccc2)n1
InChIInChI=1S/C20H18N6/c1-14-13-15(2)22-19(21-14)24-20-23-18(16-9-5-3-6-10-16)25-26(20)17-11-7-4-8-12-17/h3-13H,1-2H3,(H,21,22,23,24,25)
InChIKeyVINMIEHBSUWWPW-UHFFFAOYSA-N
XLogP4.08
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diphenyl-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-(2,5-diphenyl-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine (CID 13033530) is N-(2,5-diphenyl-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(2,5-diphenyl-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(2,5-diphenyl-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(Nc2nc(-c3ccccc3)nn2-c2ccccc2)n1.
What is the InChIKey of N-(2,5-diphenyl-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine?
The InChIKey is VINMIEHBSUWWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6/c1-14-13-15(2)22-19(21-14)24-20-23-18(16-9-5-3-6-10-16)25-26(20)17-11-7-4-8-12-17/h3-13H,1-2H3,(H,21,22,23,24,25).
What are the key properties of N-(2,5-diphenyl-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine?
N-(2,5-diphenyl-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine has a molecular weight of 342.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diphenyl-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 13033530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).