1-[(2,6-difluorophenyl)methyl]-3-phenylpyrimidine-2,4-dione

C17H12F2N2O2 — CID 15958300

IUPAC1-[(2,6-difluorophenyl)methyl]-3-phenylpyrimidine-2,4-dione
SMILESO=c1ccn(Cc2c(F)cccc2F)c(=O)n1-c1ccccc1
InChIInChI=1S/C17H12F2N2O2/c18-14-7-4-8-15(19)13(14)11-20-10-9-16(22)21(17(20)23)12-5-2-1-3-6-12/h1-10H,11H2
InChIKeyASEAULHCUHZPPQ-UHFFFAOYSA-N
MW314.29 g/mol
LogP2.33
Rot. Bonds3

About 1-[(2,6-difluorophenyl)methyl]-3-phenylpyrimidine-2,4-dione

1-[(2,6-difluorophenyl)methyl]-3-phenylpyrimidine-2,4-dione (PubChem CID 15958300) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-3-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-3-phenylpyrimidine-2,4-dione
PubChem CID15958300
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC Name1-[(2,6-difluorophenyl)methyl]-3-phenylpyrimidine-2,4-dione
SMILESO=c1ccn(Cc2c(F)cccc2F)c(=O)n1-c1ccccc1
InChIInChI=1S/C17H12F2N2O2/c18-14-7-4-8-15(19)13(14)11-20-10-9-16(22)21(17(20)23)12-5-2-1-3-6-12/h1-10H,11H2
InChIKeyASEAULHCUHZPPQ-UHFFFAOYSA-N
XLogP2.33
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2,6-difluorophenyl)methyl]-3-phenylpyrimidine-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-[(2,6-difluorophenyl)methyl]-3-phenylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-3-phenylpyrimidine-2,4-dione (CID 15958300) is 1-[(2,6-difluorophenyl)methyl]-3-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-3-phenylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-3-phenylpyrimidine-2,4-dione is O=c1ccn(Cc2c(F)cccc2F)c(=O)n1-c1ccccc1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-3-phenylpyrimidine-2,4-dione?
The InChIKey is ASEAULHCUHZPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2/c18-14-7-4-8-15(19)13(14)11-20-10-9-16(22)21(17(20)23)12-5-2-1-3-6-12/h1-10H,11H2.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-3-phenylpyrimidine-2,4-dione?
1-[(2,6-difluorophenyl)methyl]-3-phenylpyrimidine-2,4-dione has a molecular weight of 314.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-3-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 15958300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).