6-hydroxy-1-(2-methylbutan-2-yl)-5-(2-methylphenyl)pyrimidine-2,4-dione

C16H20N2O3 — CID 115945847

IUPAC6-hydroxy-1-(2-methylbutan-2-yl)-5-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCCC(C)(C)n1c(O)c(-c2ccccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C16H20N2O3/c1-5-16(3,4)18-14(20)12(13(19)17-15(18)21)11-9-7-6-8-10(11)2/h6-9,20H,5H2,1-4H3,(H,17,19,21)
InChIKeyHFHBKOVHRAPUOO-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.36
Rot. Bonds3

About 6-hydroxy-1-(2-methylbutan-2-yl)-5-(2-methylphenyl)pyrimidine-2,4-dione

6-hydroxy-1-(2-methylbutan-2-yl)-5-(2-methylphenyl)pyrimidine-2,4-dione (PubChem CID 115945847) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-hydroxy-1-(2-methylbutan-2-yl)-5-(2-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(2-methylbutan-2-yl)-5-(2-methylphenyl)pyrimidine-2,4-dione
PubChem CID115945847
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name6-hydroxy-1-(2-methylbutan-2-yl)-5-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCCC(C)(C)n1c(O)c(-c2ccccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C16H20N2O3/c1-5-16(3,4)18-14(20)12(13(19)17-15(18)21)11-9-7-6-8-10(11)2/h6-9,20H,5H2,1-4H3,(H,17,19,21)
InChIKeyHFHBKOVHRAPUOO-UHFFFAOYSA-N
XLogP2.36
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-6-hydroxy-5-(2-methylphenyl)pyrimidine-2,4-dione
CID 115946021
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
2-(2-aminobutan-2-yl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one
CID 79441317
5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione
CID 112598483
3-(2-methylbutan-2-yl)-1H-benzimidazol-2-one
CID 129212514
2-(tert-butylsulfanylmethyl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one
CID 79423539
7-hydroxy-6-(2-methylphenyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 137004038
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
ethane;2-(2-methylphenyl)phenol;propane
CID 142042568
2-(butan-2-ylsulfanylmethyl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one
CID 79423547

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(2-methylbutan-2-yl)-5-(2-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(2-methylbutan-2-yl)-5-(2-methylphenyl)pyrimidine-2,4-dione (CID 115945847) is 6-hydroxy-1-(2-methylbutan-2-yl)-5-(2-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(2-methylbutan-2-yl)-5-(2-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(2-methylbutan-2-yl)-5-(2-methylphenyl)pyrimidine-2,4-dione is CCC(C)(C)n1c(O)c(-c2ccccc2C)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-(2-methylbutan-2-yl)-5-(2-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is HFHBKOVHRAPUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-5-16(3,4)18-14(20)12(13(19)17-15(18)21)11-9-7-6-8-10(11)2/h6-9,20H,5H2,1-4H3,(H,17,19,21).
What are the key properties of 6-hydroxy-1-(2-methylbutan-2-yl)-5-(2-methylphenyl)pyrimidine-2,4-dione?
6-hydroxy-1-(2-methylbutan-2-yl)-5-(2-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(2-methylbutan-2-yl)-5-(2-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 115945847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).