3-[(5-chloro-2-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione

C12H10ClFN2O2 — CID 102974838

IUPAC3-[(5-chloro-2-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
SMILESCn1ccc(=O)n(Cc2cc(Cl)ccc2F)c1=O
InChIInChI=1S/C12H10ClFN2O2/c1-15-5-4-11(17)16(12(15)18)7-8-6-9(13)2-3-10(8)14/h2-6H,7H2,1H3
InChIKeyKWPVTIFXQLKXNE-UHFFFAOYSA-N
MW268.68 g/mol
LogP1.39
Rot. Bonds2

About 3-[(5-chloro-2-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione

3-[(5-chloro-2-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione (PubChem CID 102974838) has the molecular formula C12H10ClFN2O2 and a molecular weight of 268.68 g/mol. Its IUPAC name is 3-[(5-chloro-2-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-chloro-2-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
PubChem CID102974838
Molecular FormulaC12H10ClFN2O2
Molecular Weight268.68 g/mol
Exact Mass268.04
IUPAC Name3-[(5-chloro-2-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
SMILESCn1ccc(=O)n(Cc2cc(Cl)ccc2F)c1=O
InChIInChI=1S/C12H10ClFN2O2/c1-15-5-4-11(17)16(12(15)18)7-8-6-9(13)2-3-10(8)14/h2-6H,7H2,1H3
InChIKeyKWPVTIFXQLKXNE-UHFFFAOYSA-N
XLogP1.39
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(5-chloro-2-fluorophenyl)methyl]-1-methylpyrimidine-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 3-[(5-chloro-2-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[(5-chloro-2-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione (CID 102974838) is 3-[(5-chloro-2-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(5-chloro-2-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(5-chloro-2-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione is Cn1ccc(=O)n(Cc2cc(Cl)ccc2F)c1=O.
What is the InChIKey of 3-[(5-chloro-2-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is KWPVTIFXQLKXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2/c1-15-5-4-11(17)16(12(15)18)7-8-6-9(13)2-3-10(8)14/h2-6H,7H2,1H3.
What are the key properties of 3-[(5-chloro-2-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione?
3-[(5-chloro-2-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 268.68 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 102974838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).