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

C12H12N2O3 — CID 10421443

IUPAC5-[(2-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccccc1Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H12N2O3/c1-17-10-5-3-2-4-8(10)6-9-7-13-12(16)14-11(9)15/h2-5,7H,6H2,1H3,(H2,13,14,15,16)
InChIKeyNFAGHCRFKVUGGC-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.66
Rot. Bonds3

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

5-[(2-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 10421443) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID10421443
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name5-[(2-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccccc1Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H12N2O3/c1-17-10-5-3-2-4-8(10)6-9-7-13-12(16)14-11(9)15/h2-5,7H,6H2,1H3,(H2,13,14,15,16)
InChIKeyNFAGHCRFKVUGGC-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione (CID 10421443) is 5-[(2-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione is COc1ccccc1Cc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(2-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is NFAGHCRFKVUGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-17-10-5-3-2-4-8(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-[(2-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
5-[(2-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-[(2-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10421443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).