2,4-dichloro-5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]pyrimidine

C13H9Cl2FN2O — CID 155780231

IUPAC2,4-dichloro-5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]pyrimidine
SMILESCOc1cc(/C=C/c2cnc(Cl)nc2Cl)ccc1F
InChIInChI=1S/C13H9Cl2FN2O/c1-19-11-6-8(3-5-10(11)16)2-4-9-7-17-13(15)18-12(9)14/h2-7H,1H3/b4-2+
InChIKeyDKIONCRIZAHYQJ-DUXPYHPUSA-N
MW299.13 g/mol
LogP4.10
Rot. Bonds3

About 2,4-dichloro-5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]pyrimidine

2,4-dichloro-5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]pyrimidine (PubChem CID 155780231) has the molecular formula C13H9Cl2FN2O and a molecular weight of 299.13 g/mol. Its IUPAC name is 2,4-dichloro-5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]pyrimidine
PubChem CID155780231
Molecular FormulaC13H9Cl2FN2O
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name2,4-dichloro-5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]pyrimidine
SMILESCOc1cc(/C=C/c2cnc(Cl)nc2Cl)ccc1F
InChIInChI=1S/C13H9Cl2FN2O/c1-19-11-6-8(3-5-10(11)16)2-4-9-7-17-13(15)18-12(9)14/h2-7H,1H3/b4-2+
InChIKeyDKIONCRIZAHYQJ-DUXPYHPUSA-N
XLogP4.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]pyrimidine 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 2,4-dichloro-5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]pyrimidine?
The IUPAC name of 2,4-dichloro-5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]pyrimidine (CID 155780231) is 2,4-dichloro-5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]pyrimidine?
The canonical SMILES for 2,4-dichloro-5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]pyrimidine is COc1cc(/C=C/c2cnc(Cl)nc2Cl)ccc1F.
What is the InChIKey of 2,4-dichloro-5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]pyrimidine?
The InChIKey is DKIONCRIZAHYQJ-DUXPYHPUSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O/c1-19-11-6-8(3-5-10(11)16)2-4-9-7-17-13(15)18-12(9)14/h2-7H,1H3/b4-2+.
What are the key properties of 2,4-dichloro-5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]pyrimidine?
2,4-dichloro-5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]pyrimidine has a molecular weight of 299.13 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]pyrimidine is sourced from PubChem (CID 155780231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).