5-(4-methylphenoxy)-1H-pyrimidine-2,4-dione

C11H10N2O3 — CID 12661865

IUPAC5-(4-methylphenoxy)-1H-pyrimidine-2,4-dione
SMILESCc1ccc(Oc2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C11H10N2O3/c1-7-2-4-8(5-3-7)16-9-6-12-11(15)13-10(9)14/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyFXZMECFFAFAJCR-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.16
Rot. Bonds2

About 5-(4-methylphenoxy)-1H-pyrimidine-2,4-dione

5-(4-methylphenoxy)-1H-pyrimidine-2,4-dione (PubChem CID 12661865) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 5-(4-methylphenoxy)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methylphenoxy)-1H-pyrimidine-2,4-dione
PubChem CID12661865
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name5-(4-methylphenoxy)-1H-pyrimidine-2,4-dione
SMILESCc1ccc(Oc2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C11H10N2O3/c1-7-2-4-8(5-3-7)16-9-6-12-11(15)13-10(9)14/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyFXZMECFFAFAJCR-UHFFFAOYSA-N
XLogP1.16
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(4-methylphenoxy)-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

Related Compounds

5-(2,4-dimethylphenoxy)-1H-pyrimidine-2,4-dione
CID 44611397
CID 172781007
CID 172781007
CID 66656222
CID 66656222
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
(2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate
CID 23216229
N-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7161234
5-methyl-1H-pyrimidine-2,4-dione;oxalic acid
CID 163712906
1,5-bis(4-methylphenoxy)naphthalene;methane
CID 159940982
ethane;5-hydroxy-1H-pyrimidine-2,4-dione
CID 145004805
3-[2-(4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one
CID 143255222
6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585987
4-(4-methylphenoxy)-1H-pyrimidin-6-one
CID 103240916

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenoxy)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(4-methylphenoxy)-1H-pyrimidine-2,4-dione (CID 12661865) is 5-(4-methylphenoxy)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-methylphenoxy)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-methylphenoxy)-1H-pyrimidine-2,4-dione is Cc1ccc(Oc2c[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-(4-methylphenoxy)-1H-pyrimidine-2,4-dione?
The InChIKey is FXZMECFFAFAJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-7-2-4-8(5-3-7)16-9-6-12-11(15)13-10(9)14/h2-6H,1H3,(H2,12,13,14,15).
What are the key properties of 5-(4-methylphenoxy)-1H-pyrimidine-2,4-dione?
5-(4-methylphenoxy)-1H-pyrimidine-2,4-dione has a molecular weight of 218.21 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenoxy)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 12661865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).