1-[[4-(3,4-dimethylphenoxy)-3-fluorophenyl]methyl]pyrimidine-2,4-dione

C19H17FN2O3 — CID 167251822

IUPAC1-[[4-(3,4-dimethylphenoxy)-3-fluorophenyl]methyl]pyrimidine-2,4-dione
SMILESCc1ccc(Oc2ccc(Cn3ccc(=O)[nH]c3=O)cc2F)cc1C
InChIInChI=1S/C19H17FN2O3/c1-12-3-5-15(9-13(12)2)25-17-6-4-14(10-16(17)20)11-22-8-7-18(23)21-19(22)24/h3-10H,11H2,1-2H3,(H,21,23,24)
InChIKeyBCPGKLSSGZCZFN-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.13
Rot. Bonds4

About 1-[[4-(3,4-dimethylphenoxy)-3-fluorophenyl]methyl]pyrimidine-2,4-dione

1-[[4-(3,4-dimethylphenoxy)-3-fluorophenyl]methyl]pyrimidine-2,4-dione (PubChem CID 167251822) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-[[4-(3,4-dimethylphenoxy)-3-fluorophenyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[4-(3,4-dimethylphenoxy)-3-fluorophenyl]methyl]pyrimidine-2,4-dione
PubChem CID167251822
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name1-[[4-(3,4-dimethylphenoxy)-3-fluorophenyl]methyl]pyrimidine-2,4-dione
SMILESCc1ccc(Oc2ccc(Cn3ccc(=O)[nH]c3=O)cc2F)cc1C
InChIInChI=1S/C19H17FN2O3/c1-12-3-5-15(9-13(12)2)25-17-6-4-14(10-16(17)20)11-22-8-7-18(23)21-19(22)24/h3-10H,11H2,1-2H3,(H,21,23,24)
InChIKeyBCPGKLSSGZCZFN-UHFFFAOYSA-N
XLogP3.13
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[4-(3,4-dimethylphenoxy)-3-fluorophenyl]methyl]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 1-[[4-(3,4-dimethylphenoxy)-3-fluorophenyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[[4-(3,4-dimethylphenoxy)-3-fluorophenyl]methyl]pyrimidine-2,4-dione (CID 167251822) is 1-[[4-(3,4-dimethylphenoxy)-3-fluorophenyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[[4-(3,4-dimethylphenoxy)-3-fluorophenyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[[4-(3,4-dimethylphenoxy)-3-fluorophenyl]methyl]pyrimidine-2,4-dione is Cc1ccc(Oc2ccc(Cn3ccc(=O)[nH]c3=O)cc2F)cc1C.
What is the InChIKey of 1-[[4-(3,4-dimethylphenoxy)-3-fluorophenyl]methyl]pyrimidine-2,4-dione?
The InChIKey is BCPGKLSSGZCZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-12-3-5-15(9-13(12)2)25-17-6-4-14(10-16(17)20)11-22-8-7-18(23)21-19(22)24/h3-10H,11H2,1-2H3,(H,21,23,24).
What are the key properties of 1-[[4-(3,4-dimethylphenoxy)-3-fluorophenyl]methyl]pyrimidine-2,4-dione?
1-[[4-(3,4-dimethylphenoxy)-3-fluorophenyl]methyl]pyrimidine-2,4-dione has a molecular weight of 340.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3,4-dimethylphenoxy)-3-fluorophenyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 167251822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).