6-hydroxy-1-(3-methylbutyl)-5-(2-methylphenyl)pyrimidine-2,4-dione

C16H20N2O3 — CID 115946162

IUPAC6-hydroxy-1-(3-methylbutyl)-5-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCc1ccccc1-c1c(O)n(CCC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C16H20N2O3/c1-10(2)8-9-18-15(20)13(14(19)17-16(18)21)12-7-5-4-6-11(12)3/h4-7,10,20H,8-9H2,1-3H3,(H,17,19,21)
InChIKeyILUYHAGXLMOVBM-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.26
Rot. Bonds4

About 6-hydroxy-1-(3-methylbutyl)-5-(2-methylphenyl)pyrimidine-2,4-dione

6-hydroxy-1-(3-methylbutyl)-5-(2-methylphenyl)pyrimidine-2,4-dione (PubChem CID 115946162) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-hydroxy-1-(3-methylbutyl)-5-(2-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(3-methylbutyl)-5-(2-methylphenyl)pyrimidine-2,4-dione
PubChem CID115946162
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name6-hydroxy-1-(3-methylbutyl)-5-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCc1ccccc1-c1c(O)n(CCC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C16H20N2O3/c1-10(2)8-9-18-15(20)13(14(19)17-16(18)21)12-7-5-4-6-11(12)3/h4-7,10,20H,8-9H2,1-3H3,(H,17,19,21)
InChIKeyILUYHAGXLMOVBM-UHFFFAOYSA-N
XLogP2.26
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chlorophenyl)-6-hydroxy-1-(3-methylbutyl)pyrimidine-2,4-dione
CID 115946168
6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione
CID 115948124
6-hydroxy-1-(2-methylbutan-2-yl)-5-(2-methylphenyl)pyrimidine-2,4-dione
CID 115945847
5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione
CID 112598483
1-tert-butyl-6-hydroxy-5-(2-methylphenyl)pyrimidine-2,4-dione
CID 115946021
6-hydroxy-5-methyl-1-(3-phenylbutyl)pyrimidine-2,4-dione
CID 115948134
6-hydroxy-5-phenyl-1-(2-propan-2-yloxyethyl)pyrimidine-2,4-dione
CID 104767898
3-[5-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide
CID 115946840
5-(2-fluorophenyl)-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione
CID 106222291
6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione
CID 115948240
6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 115948074
3-benzyl-8-[2-(difluoromethoxy)phenyl]-7-(3-methylbutyl)purine-2,6-dione
CID 3655135

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(3-methylbutyl)-5-(2-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(3-methylbutyl)-5-(2-methylphenyl)pyrimidine-2,4-dione (CID 115946162) is 6-hydroxy-1-(3-methylbutyl)-5-(2-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(3-methylbutyl)-5-(2-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(3-methylbutyl)-5-(2-methylphenyl)pyrimidine-2,4-dione is Cc1ccccc1-c1c(O)n(CCC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-(3-methylbutyl)-5-(2-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is ILUYHAGXLMOVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)8-9-18-15(20)13(14(19)17-16(18)21)12-7-5-4-6-11(12)3/h4-7,10,20H,8-9H2,1-3H3,(H,17,19,21).
What are the key properties of 6-hydroxy-1-(3-methylbutyl)-5-(2-methylphenyl)pyrimidine-2,4-dione?
6-hydroxy-1-(3-methylbutyl)-5-(2-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(3-methylbutyl)-5-(2-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 115946162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).