6-hydroxy-1-[(4-propoxyphenyl)methyl]pyrimidine-2,4-dione

C14H16N2O4 — CID 659070

IUPAC6-hydroxy-1-[(4-propoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCCCOc1ccc(Cn2c(O)cc(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H16N2O4/c1-2-7-20-11-5-3-10(4-6-11)9-16-13(18)8-12(17)15-14(16)19/h3-6,8,18H,2,7,9H2,1H3,(H,15,17,19)
InChIKeyFXUJDJSLKPJGGI-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.08
Rot. Bonds5

About 6-hydroxy-1-[(4-propoxyphenyl)methyl]pyrimidine-2,4-dione

6-hydroxy-1-[(4-propoxyphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 659070) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 6-hydroxy-1-[(4-propoxyphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-[(4-propoxyphenyl)methyl]pyrimidine-2,4-dione
PubChem CID659070
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name6-hydroxy-1-[(4-propoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCCCOc1ccc(Cn2c(O)cc(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H16N2O4/c1-2-7-20-11-5-3-10(4-6-11)9-16-13(18)8-12(17)15-14(16)19/h3-6,8,18H,2,7,9H2,1H3,(H,15,17,19)
InChIKeyFXUJDJSLKPJGGI-UHFFFAOYSA-N
XLogP1.08
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-hydroxy-1-[(4-propoxyphenyl)methyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-[(4-propoxyphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-[(4-propoxyphenyl)methyl]pyrimidine-2,4-dione (CID 659070) is 6-hydroxy-1-[(4-propoxyphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-[(4-propoxyphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-[(4-propoxyphenyl)methyl]pyrimidine-2,4-dione is CCCOc1ccc(Cn2c(O)cc(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-hydroxy-1-[(4-propoxyphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is FXUJDJSLKPJGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-7-20-11-5-3-10(4-6-11)9-16-13(18)8-12(17)15-14(16)19/h3-6,8,18H,2,7,9H2,1H3,(H,15,17,19).
What are the key properties of 6-hydroxy-1-[(4-propoxyphenyl)methyl]pyrimidine-2,4-dione?
6-hydroxy-1-[(4-propoxyphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 276.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-[(4-propoxyphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 659070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).