2-tert-butyl-4,6-diphenylpyrimidine

C20H20N2 — CID 90180530

IUPAC2-tert-butyl-4,6-diphenylpyrimidine
SMILESCC(C)(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C20H20N2/c1-20(2,3)19-21-17(15-10-6-4-7-11-15)14-18(22-19)16-12-8-5-9-13-16/h4-14H,1-3H3
InChIKeyUFCIMQLGCCHEKY-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.11
Rot. Bonds2

About 2-tert-butyl-4,6-diphenylpyrimidine

2-tert-butyl-4,6-diphenylpyrimidine (PubChem CID 90180530) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-tert-butyl-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4,6-diphenylpyrimidine
PubChem CID90180530
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name2-tert-butyl-4,6-diphenylpyrimidine
SMILESCC(C)(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C20H20N2/c1-20(2,3)19-21-17(15-10-6-4-7-11-15)14-18(22-19)16-12-8-5-9-13-16/h4-14H,1-3H3
InChIKeyUFCIMQLGCCHEKY-UHFFFAOYSA-N
XLogP5.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,6-diphenylpyrimidine?
The IUPAC name of 2-tert-butyl-4,6-diphenylpyrimidine (CID 90180530) is 2-tert-butyl-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-tert-butyl-4,6-diphenylpyrimidine?
The canonical SMILES for 2-tert-butyl-4,6-diphenylpyrimidine is CC(C)(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 2-tert-butyl-4,6-diphenylpyrimidine?
The InChIKey is UFCIMQLGCCHEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-20(2,3)19-21-17(15-10-6-4-7-11-15)14-18(22-19)16-12-8-5-9-13-16/h4-14H,1-3H3.
What are the key properties of 2-tert-butyl-4,6-diphenylpyrimidine?
2-tert-butyl-4,6-diphenylpyrimidine has a molecular weight of 288.39 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,6-diphenylpyrimidine is sourced from PubChem (CID 90180530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).