1-(4-butoxy-2-methylphenyl)pyrimidine-2,4-dione

C15H18N2O3 — CID 166036133

IUPAC1-(4-butoxy-2-methylphenyl)pyrimidine-2,4-dione
SMILESCCCCOc1ccc(-n2ccc(=O)[nH]c2=O)c(C)c1
InChIInChI=1S/C15H18N2O3/c1-3-4-9-20-12-5-6-13(11(2)10-12)17-8-7-14(18)16-15(17)19/h5-8,10H,3-4,9H2,1-2H3,(H,16,18,19)
InChIKeyZUFRSVLNKFRASJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.01
Rot. Bonds5

About 1-(4-butoxy-2-methylphenyl)pyrimidine-2,4-dione

1-(4-butoxy-2-methylphenyl)pyrimidine-2,4-dione (PubChem CID 166036133) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(4-butoxy-2-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-butoxy-2-methylphenyl)pyrimidine-2,4-dione
PubChem CID166036133
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(4-butoxy-2-methylphenyl)pyrimidine-2,4-dione
SMILESCCCCOc1ccc(-n2ccc(=O)[nH]c2=O)c(C)c1
InChIInChI=1S/C15H18N2O3/c1-3-4-9-20-12-5-6-13(11(2)10-12)17-8-7-14(18)16-15(17)19/h5-8,10H,3-4,9H2,1-2H3,(H,16,18,19)
InChIKeyZUFRSVLNKFRASJ-UHFFFAOYSA-N
XLogP2.01
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-butoxy-2-methylphenyl)-1,4-diazepane
CID 83134110
4-butoxy-1H-pyridin-2-one
CID 58896757
1,2-dimethyl-4-propoxybenzene
CID 23549082
1-hexadecoxypyrimidine-2,4-dione
CID 177191726
ethane;7-pentoxy-1H-quinolin-2-one
CID 144829550
6-butoxy-2-methyl-1H-indole
CID 154112736
6-butoxy-1,2-dihydroindazol-3-one
CID 70661188
4-butoxy-2,6-dimethylbenzenethiol
CID 91655340
5-[3-(2,4-dioxopyrimidin-1-yl)quinolin-6-yl]oxypentanal
CID 135261925
5-butoxy-2-methylphenol
CID 59445644
2-methyl-4-nonoxyaniline
CID 43128997
2-ethyl-4-hexoxy-1-methylbenzene
CID 143189460

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxy-2-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(4-butoxy-2-methylphenyl)pyrimidine-2,4-dione (CID 166036133) is 1-(4-butoxy-2-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-butoxy-2-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-butoxy-2-methylphenyl)pyrimidine-2,4-dione is CCCCOc1ccc(-n2ccc(=O)[nH]c2=O)c(C)c1.
What is the InChIKey of 1-(4-butoxy-2-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is ZUFRSVLNKFRASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-4-9-20-12-5-6-13(11(2)10-12)17-8-7-14(18)16-15(17)19/h5-8,10H,3-4,9H2,1-2H3,(H,16,18,19).
What are the key properties of 1-(4-butoxy-2-methylphenyl)pyrimidine-2,4-dione?
1-(4-butoxy-2-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 274.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxy-2-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 166036133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).