1-[(4-ethoxyphenyl)methyl]-6-hydroxypyrimidine-2,4-dione

C13H14N2O4 — CID 659160

IUPAC1-[(4-ethoxyphenyl)methyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCOc1ccc(Cn2c(O)cc(=O)[nH]c2=O)cc1
InChIInChI=1S/C13H14N2O4/c1-2-19-10-5-3-9(4-6-10)8-15-12(17)7-11(16)14-13(15)18/h3-7,17H,2,8H2,1H3,(H,14,16,18)
InChIKeyWTWXDPWEHHLGKK-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.69
Rot. Bonds4

About 1-[(4-ethoxyphenyl)methyl]-6-hydroxypyrimidine-2,4-dione

1-[(4-ethoxyphenyl)methyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 659160) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID659160
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name1-[(4-ethoxyphenyl)methyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCOc1ccc(Cn2c(O)cc(=O)[nH]c2=O)cc1
InChIInChI=1S/C13H14N2O4/c1-2-19-10-5-3-9(4-6-10)8-15-12(17)7-11(16)14-13(15)18/h3-7,17H,2,8H2,1H3,(H,14,16,18)
InChIKeyWTWXDPWEHHLGKK-UHFFFAOYSA-N
XLogP0.69
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-6-hydroxypyrimidine-2,4-dione (CID 659160) is 1-[(4-ethoxyphenyl)methyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-6-hydroxypyrimidine-2,4-dione is CCOc1ccc(Cn2c(O)cc(=O)[nH]c2=O)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is WTWXDPWEHHLGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-2-19-10-5-3-9(4-6-10)8-15-12(17)7-11(16)14-13(15)18/h3-7,17H,2,8H2,1H3,(H,14,16,18).
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-6-hydroxypyrimidine-2,4-dione?
1-[(4-ethoxyphenyl)methyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 262.27 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 659160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).