1-tert-butyl-6-hydroxy-5-(2-methylphenyl)pyrimidine-2,4-dione

C15H18N2O3 — CID 115946021

IUPAC1-tert-butyl-6-hydroxy-5-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCc1ccccc1-c1c(O)n(C(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C15H18N2O3/c1-9-7-5-6-8-10(9)11-12(18)16-14(20)17(13(11)19)15(2,3)4/h5-8,19H,1-4H3,(H,16,18,20)
InChIKeyUGFWGGQZIIQORH-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.97
Rot. Bonds1

About 1-tert-butyl-6-hydroxy-5-(2-methylphenyl)pyrimidine-2,4-dione

1-tert-butyl-6-hydroxy-5-(2-methylphenyl)pyrimidine-2,4-dione (PubChem CID 115946021) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-tert-butyl-6-hydroxy-5-(2-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-tert-butyl-6-hydroxy-5-(2-methylphenyl)pyrimidine-2,4-dione
PubChem CID115946021
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-tert-butyl-6-hydroxy-5-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCc1ccccc1-c1c(O)n(C(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C15H18N2O3/c1-9-7-5-6-8-10(9)11-12(18)16-14(20)17(13(11)19)15(2,3)4/h5-8,19H,1-4H3,(H,16,18,20)
InChIKeyUGFWGGQZIIQORH-UHFFFAOYSA-N
XLogP1.97
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydroxy-1-(2-methylbutan-2-yl)-5-(2-methylphenyl)pyrimidine-2,4-dione
CID 115945847
5-(2-bromophenyl)-6-hydroxy-1-(2-methylbutan-2-yl)pyrimidine-2,4-dione
CID 115945849
6-hydroxy-1-(3-methylbutyl)-5-(2-methylphenyl)pyrimidine-2,4-dione
CID 115946162
1-tert-butyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 620473
1-tert-butyl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598735
7-hydroxy-6-(2-methylphenyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 137004038
2-(2-aminobutan-2-yl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one
CID 79441317
2-(tert-butylsulfanylmethyl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one
CID 79423539
5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione
CID 112598483
1-cyclopropyl-5-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 112598423
3-[5-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide
CID 115946840
5-(2-chlorophenyl)-6-hydroxy-1-(3-methylbutyl)pyrimidine-2,4-dione
CID 115946168

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-hydroxy-5-(2-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 1-tert-butyl-6-hydroxy-5-(2-methylphenyl)pyrimidine-2,4-dione (CID 115946021) is 1-tert-butyl-6-hydroxy-5-(2-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-tert-butyl-6-hydroxy-5-(2-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-tert-butyl-6-hydroxy-5-(2-methylphenyl)pyrimidine-2,4-dione is Cc1ccccc1-c1c(O)n(C(C)(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 1-tert-butyl-6-hydroxy-5-(2-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is UGFWGGQZIIQORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-7-5-6-8-10(9)11-12(18)16-14(20)17(13(11)19)15(2,3)4/h5-8,19H,1-4H3,(H,16,18,20).
What are the key properties of 1-tert-butyl-6-hydroxy-5-(2-methylphenyl)pyrimidine-2,4-dione?
1-tert-butyl-6-hydroxy-5-(2-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 274.32 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-hydroxy-5-(2-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 115946021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).