2-tert-butyl-4-(4-tert-butylphenyl)-1H-pyrimidin-6-one

C18H24N2O — CID 136692476

IUPAC2-tert-butyl-4-(4-tert-butylphenyl)-1H-pyrimidin-6-one
SMILESCC(C)(C)c1ccc(-c2cc(=O)[nH]c(C(C)(C)C)n2)cc1
InChIInChI=1S/C18H24N2O/c1-17(2,3)13-9-7-12(8-10-13)14-11-15(21)20-16(19-14)18(4,5)6/h7-11H,1-6H3,(H,19,20,21)
InChIKeyOTGLZZWRNHDWGX-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.03
Rot. Bonds1

About 2-tert-butyl-4-(4-tert-butylphenyl)-1H-pyrimidin-6-one

2-tert-butyl-4-(4-tert-butylphenyl)-1H-pyrimidin-6-one (PubChem CID 136692476) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-tert-butyl-4-(4-tert-butylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-tert-butyl-4-(4-tert-butylphenyl)-1H-pyrimidin-6-one
PubChem CID136692476
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-tert-butyl-4-(4-tert-butylphenyl)-1H-pyrimidin-6-one
SMILESCC(C)(C)c1ccc(-c2cc(=O)[nH]c(C(C)(C)C)n2)cc1
InChIInChI=1S/C18H24N2O/c1-17(2,3)13-9-7-12(8-10-13)14-11-15(21)20-16(19-14)18(4,5)6/h7-11H,1-6H3,(H,19,20,21)
InChIKeyOTGLZZWRNHDWGX-UHFFFAOYSA-N
XLogP4.03
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butylphenyl)-2-methyl-1H-pyrimidin-6-one
CID 135619683
2-tert-butyl-4-(4-cyclobutylphenyl)-1H-pyrimidin-6-one
CID 136770161
2-tert-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-one
CID 136692120
2-tert-butyl-4-(4-chloro-3-methoxyphenyl)-1H-pyrimidin-6-one
CID 136769429
2-tert-butyl-4-(4-methyl-3-pyridinyl)-1H-pyrimidin-6-one
CID 136955614
2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-4-phenyl-1H-pyrimidin-6-one
CID 135416153
4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802815
2-tert-butyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one
CID 136770179
2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136691964
2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136691960
2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine
CID 58261754
4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 139891889

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(4-tert-butylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-tert-butyl-4-(4-tert-butylphenyl)-1H-pyrimidin-6-one (CID 136692476) is 2-tert-butyl-4-(4-tert-butylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-tert-butyl-4-(4-tert-butylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-tert-butyl-4-(4-tert-butylphenyl)-1H-pyrimidin-6-one is CC(C)(C)c1ccc(-c2cc(=O)[nH]c(C(C)(C)C)n2)cc1.
What is the InChIKey of 2-tert-butyl-4-(4-tert-butylphenyl)-1H-pyrimidin-6-one?
The InChIKey is OTGLZZWRNHDWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-17(2,3)13-9-7-12(8-10-13)14-11-15(21)20-16(19-14)18(4,5)6/h7-11H,1-6H3,(H,19,20,21).
What are the key properties of 2-tert-butyl-4-(4-tert-butylphenyl)-1H-pyrimidin-6-one?
2-tert-butyl-4-(4-tert-butylphenyl)-1H-pyrimidin-6-one has a molecular weight of 284.40 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(4-tert-butylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136692476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).