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

C12H12N2O4 — CID 659296

IUPAC6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(O)cc(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H12N2O4/c1-18-9-4-2-8(3-5-9)7-14-11(16)6-10(15)13-12(14)17/h2-6,16H,7H2,1H3,(H,13,15,17)
InChIKeyWCILFFZNGKEUSG-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.30
Rot. Bonds3

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

6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 659296) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
PubChem CID659296
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(O)cc(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H12N2O4/c1-18-9-4-2-8(3-5-9)7-14-11(16)6-10(15)13-12(14)17/h2-6,16H,7H2,1H3,(H,13,15,17)
InChIKeyWCILFFZNGKEUSG-UHFFFAOYSA-N
XLogP0.30
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione (CID 659296) is 6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione is COc1ccc(Cn2c(O)cc(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is WCILFFZNGKEUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-18-9-4-2-8(3-5-9)7-14-11(16)6-10(15)13-12(14)17/h2-6,16H,7H2,1H3,(H,13,15,17).
What are the key properties of 6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 248.24 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 659296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).