6-hydroxy-5-(3-methylphenyl)-1-pentan-2-ylpyrimidine-2,4-dione

C16H20N2O3 — CID 115946369

IUPAC6-hydroxy-5-(3-methylphenyl)-1-pentan-2-ylpyrimidine-2,4-dione
SMILESCCCC(C)n1c(O)c(-c2cccc(C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C16H20N2O3/c1-4-6-11(3)18-15(20)13(14(19)17-16(18)21)12-8-5-7-10(2)9-12/h5,7-9,11,20H,4,6H2,1-3H3,(H,17,19,21)
InChIKeyQAFKIRIFZODWCT-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.58
Rot. Bonds4

About 6-hydroxy-5-(3-methylphenyl)-1-pentan-2-ylpyrimidine-2,4-dione

6-hydroxy-5-(3-methylphenyl)-1-pentan-2-ylpyrimidine-2,4-dione (PubChem CID 115946369) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-hydroxy-5-(3-methylphenyl)-1-pentan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(3-methylphenyl)-1-pentan-2-ylpyrimidine-2,4-dione
PubChem CID115946369
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name6-hydroxy-5-(3-methylphenyl)-1-pentan-2-ylpyrimidine-2,4-dione
SMILESCCCC(C)n1c(O)c(-c2cccc(C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C16H20N2O3/c1-4-6-11(3)18-15(20)13(14(19)17-16(18)21)12-8-5-7-10(2)9-12/h5,7-9,11,20H,4,6H2,1-3H3,(H,17,19,21)
InChIKeyQAFKIRIFZODWCT-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
CID 115946137
6-hydroxy-5-methyl-1-pentan-2-ylpyrimidine-2,4-dione
CID 112598984
1-hexan-3-yl-6-hydroxy-5-phenylpyrimidine-2,4-dione
CID 115947840
1-cyclopropyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
CID 112598408
6-hydroxy-5-(3-methylphenyl)-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione
CID 115948298
6-hydroxy-1-(3-methylbutan-2-yl)-5-phenylpyrimidine-2,4-dione
CID 115945962
5-(4-chlorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione
CID 115946316
2-(2-aminobutyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
CID 79417005
5-(3-bromophenyl)-6-hydroxy-1-(2-methoxypropyl)pyrimidine-2,4-dione
CID 102702118
6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione
CID 115948124
5-(3-chlorophenyl)-1-(2,2-dimethylpropyl)-6-hydroxypyrimidine-2,4-dione
CID 115947031
5-(3-fluorophenyl)-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
CID 112599485

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(3-methylphenyl)-1-pentan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(3-methylphenyl)-1-pentan-2-ylpyrimidine-2,4-dione (CID 115946369) is 6-hydroxy-5-(3-methylphenyl)-1-pentan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(3-methylphenyl)-1-pentan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(3-methylphenyl)-1-pentan-2-ylpyrimidine-2,4-dione is CCCC(C)n1c(O)c(-c2cccc(C)c2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-(3-methylphenyl)-1-pentan-2-ylpyrimidine-2,4-dione?
The InChIKey is QAFKIRIFZODWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-6-11(3)18-15(20)13(14(19)17-16(18)21)12-8-5-7-10(2)9-12/h5,7-9,11,20H,4,6H2,1-3H3,(H,17,19,21).
What are the key properties of 6-hydroxy-5-(3-methylphenyl)-1-pentan-2-ylpyrimidine-2,4-dione?
6-hydroxy-5-(3-methylphenyl)-1-pentan-2-ylpyrimidine-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(3-methylphenyl)-1-pentan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 115946369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).