2-(3,5-dimethylpyrazol-1-yl)-4,6-diphenylpyrimidine

C21H18N4 — CID 830579

IUPAC2-(3,5-dimethylpyrazol-1-yl)-4,6-diphenylpyrimidine
SMILESCc1cc(C)n(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)n1
InChIInChI=1S/C21H18N4/c1-15-13-16(2)25(24-15)21-22-19(17-9-5-3-6-10-17)14-20(23-21)18-11-7-4-8-12-18/h3-14H,1-2H3
InChIKeyCTTGYRSMTWAMOD-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.61
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-4,6-diphenylpyrimidine

2-(3,5-dimethylpyrazol-1-yl)-4,6-diphenylpyrimidine (PubChem CID 830579) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-4,6-diphenylpyrimidine
PubChem CID830579
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-4,6-diphenylpyrimidine
SMILESCc1cc(C)n(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)n1
InChIInChI=1S/C21H18N4/c1-15-13-16(2)25(24-15)21-22-19(17-9-5-3-6-10-17)14-20(23-21)18-11-7-4-8-12-18/h3-14H,1-2H3
InChIKeyCTTGYRSMTWAMOD-UHFFFAOYSA-N
XLogP4.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4,6-diphenylpyrimidine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4,6-diphenylpyrimidine (CID 830579) is 2-(3,5-dimethylpyrazol-1-yl)-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-4,6-diphenylpyrimidine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-4,6-diphenylpyrimidine is Cc1cc(C)n(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-4,6-diphenylpyrimidine?
The InChIKey is CTTGYRSMTWAMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-15-13-16(2)25(24-15)21-22-19(17-9-5-3-6-10-17)14-20(23-21)18-11-7-4-8-12-18/h3-14H,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-4,6-diphenylpyrimidine?
2-(3,5-dimethylpyrazol-1-yl)-4,6-diphenylpyrimidine has a molecular weight of 326.40 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-4,6-diphenylpyrimidine is sourced from PubChem (CID 830579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).