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

C14H14ClFN2O2 — CID 103050103

IUPAC3-[(5-chloro-2-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2cc(Cl)ccc2F)c1=O
InChIInChI=1S/C14H14ClFN2O2/c1-2-6-17-7-5-13(19)18(14(17)20)9-10-8-11(15)3-4-12(10)16/h3-5,7-8H,2,6,9H2,1H3
InChIKeyQUWBKENCKINUJD-UHFFFAOYSA-N
MW296.73 g/mol
LogP2.26
Rot. Bonds4

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

3-[(5-chloro-2-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione (PubChem CID 103050103) has the molecular formula C14H14ClFN2O2 and a molecular weight of 296.73 g/mol. Its IUPAC name is 3-[(5-chloro-2-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-chloro-2-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
PubChem CID103050103
Molecular FormulaC14H14ClFN2O2
Molecular Weight296.73 g/mol
Exact Mass296.07
IUPAC Name3-[(5-chloro-2-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2cc(Cl)ccc2F)c1=O
InChIInChI=1S/C14H14ClFN2O2/c1-2-6-17-7-5-13(19)18(14(17)20)9-10-8-11(15)3-4-12(10)16/h3-5,7-8H,2,6,9H2,1H3
InChIKeyQUWBKENCKINUJD-UHFFFAOYSA-N
XLogP2.26
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(5-chloro-2-fluorophenyl)methyl]-1-propylpyrimidine-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-propylpyrimidine-2,4-dione?
The IUPAC name of 3-[(5-chloro-2-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione (CID 103050103) is 3-[(5-chloro-2-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(5-chloro-2-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(5-chloro-2-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(Cc2cc(Cl)ccc2F)c1=O.
What is the InChIKey of 3-[(5-chloro-2-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is QUWBKENCKINUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2/c1-2-6-17-7-5-13(19)18(14(17)20)9-10-8-11(15)3-4-12(10)16/h3-5,7-8H,2,6,9H2,1H3.
What are the key properties of 3-[(5-chloro-2-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione?
3-[(5-chloro-2-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 296.73 g/mol, XLogP of 2.26, 4 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-propylpyrimidine-2,4-dione is sourced from PubChem (CID 103050103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).