5-[(4-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione

C12H12N2O3 — CID 867850

IUPAC5-[(4-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(Cc2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H12N2O3/c1-17-10-4-2-8(3-5-10)6-9-7-13-12(16)14-11(9)15/h2-5,7H,6H2,1H3,(H2,13,14,15,16)
InChIKeyMGBOZHCYSNCCOK-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.66
Rot. Bonds3

About 5-[(4-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione

5-[(4-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 867850) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID867850
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name5-[(4-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(Cc2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H12N2O3/c1-17-10-4-2-8(3-5-10)6-9-7-13-12(16)14-11(9)15/h2-5,7H,6H2,1H3,(H2,13,14,15,16)
InChIKeyMGBOZHCYSNCCOK-UHFFFAOYSA-N
XLogP0.66
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Acetyl-4-(4-methoxy-phenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 2818276
1-(2-Methoxyphenethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 2823142
6-amino-4-hydroxy-1-[2-(2-methoxyphenyl)ethyl]pyrimidin-2(1H)-one
CID 4909850
1-[(4-Methoxyphenyl)acetyl]imidazolidin-2-one
CID 709972
5-Benzyloxybenzyluracil
CID 99314
N-isopropyl-3-(4-methoxyphenyl)propanamide
CID 897290
5-(3-Propoxy-benzyl)-1H-pyrimidine-2,4-dione
CID 9992761
5-(3-Butoxy-benzyl)-1-(2-hydroxy-ethoxymethyl)-1H-pyrimidine-2,4-dione
CID 10405457
1-(2-Hydroxy-ethoxymethyl)-5-(3-propoxy-benzyl)-1H-pyrimidine-2,4-dione
CID 10472053
5-benzyl-6-(4-(4-methoxyphenyl)piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 44426789
3-(4-methoxyphenyl)-N-methylpropanamide
CID 915378
2-Mercapto-5-(4-methoxy-benzyl)-pyrimidine-4,6-diol
CID 754839

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione (CID 867850) is 5-[(4-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione is COc1ccc(Cc2c[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is MGBOZHCYSNCCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-17-10-4-2-8(3-5-10)6-9-7-13-12(16)14-11(9)15/h2-5,7H,6H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-[(4-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
5-[(4-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 232.24 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 867850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).