5-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione

C13H14N2O4 — CID 10355328

IUPAC5-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(Cc2c[nH]c(=O)[nH]c2=O)cc1OC
InChIInChI=1S/C13H14N2O4/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-14-13(17)15-12(9)16/h3-4,6-7H,5H2,1-2H3,(H2,14,15,16,17)
InChIKeyRPPPRGOZIAGTNI-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.67
Rot. Bonds4

About 5-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione

5-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 10355328) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 5-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID10355328
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name5-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(Cc2c[nH]c(=O)[nH]c2=O)cc1OC
InChIInChI=1S/C13H14N2O4/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-14-13(17)15-12(9)16/h3-4,6-7H,5H2,1-2H3,(H2,14,15,16,17)
InChIKeyRPPPRGOZIAGTNI-UHFFFAOYSA-N
XLogP0.67
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione (CID 10355328) is 5-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione is COc1ccc(Cc2c[nH]c(=O)[nH]c2=O)cc1OC.
What is the InChIKey of 5-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is RPPPRGOZIAGTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-14-13(17)15-12(9)16/h3-4,6-7H,5H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
5-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 262.26 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10355328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).