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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Related Compounds

2-tert-butyl-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-tert-butyl-4,6-diphenylpyrimidine;2-(3-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenyl-1,3,5-triazine;2-tert-butyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159252272
2-tert-butyl-4,6-diphenylpyrimidine;4-tert-butyl-2,6-diphenylpyrimidine;2-(3-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenylpyrimidine;4-(4-tert-butylphenyl)-2,6-diphenylpyrimidine
CID 160500413
2-tert-butyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252344
2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine
CID 121315643
4-methyl-6-phenyl-2-(trifluoromethyl)pyrimidine
CID 116896751
2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 176647044
2,4-ditert-butyl-6-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 176843132
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
2-tert-butyl-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168803489
2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 177113619
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704

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).