5-[(4-ethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione

C13H14N2O4 — CID 659339

IUPAC5-[(4-ethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCCOc1ccc(Cc2c(O)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C13H14N2O4/c1-2-19-9-5-3-8(4-6-9)7-10-11(16)14-13(18)15-12(10)17/h3-6H,2,7H2,1H3,(H3,14,15,16,17,18)
InChIKeyRCDBCKRCWSWCQU-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.76
Rot. Bonds4

About 5-[(4-ethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione

5-[(4-ethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 659339) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 5-[(4-ethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-ethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID659339
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name5-[(4-ethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCCOc1ccc(Cc2c(O)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C13H14N2O4/c1-2-19-9-5-3-8(4-6-9)7-10-11(16)14-13(18)15-12(10)17/h3-6H,2,7H2,1H3,(H3,14,15,16,17,18)
InChIKeyRCDBCKRCWSWCQU-UHFFFAOYSA-N
XLogP0.76
TPSA95.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(4-ethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 659339) is 5-[(4-ethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-ethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-ethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione is CCOc1ccc(Cc2c(O)[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-[(4-ethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is RCDBCKRCWSWCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-2-19-9-5-3-8(4-6-9)7-10-11(16)14-13(18)15-12(10)17/h3-6H,2,7H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 5-[(4-ethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[(4-ethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 262.26 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 659339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).