2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-4-methyl-6-pyrrolidin-1-ylpyrimidine

C19H23N3O2 — CID 18763674

IUPAC2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
SMILESCOc1ccc(/C=C/c2nc(C)cc(N3CCCC3)n2)c(OC)c1
InChIInChI=1S/C19H23N3O2/c1-14-12-19(22-10-4-5-11-22)21-18(20-14)9-7-15-6-8-16(23-2)13-17(15)24-3/h6-9,12-13H,4-5,10-11H2,1-3H3/b9-7+
InChIKeyVPZQDBRXUWLGEA-VQHVLOKHSA-N
MW325.41 g/mol
LogP3.57
Rot. Bonds5

About 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-4-methyl-6-pyrrolidin-1-ylpyrimidine

2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-4-methyl-6-pyrrolidin-1-ylpyrimidine (PubChem CID 18763674) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-4-methyl-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
PubChem CID18763674
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
SMILESCOc1ccc(/C=C/c2nc(C)cc(N3CCCC3)n2)c(OC)c1
InChIInChI=1S/C19H23N3O2/c1-14-12-19(22-10-4-5-11-22)21-18(20-14)9-7-15-6-8-16(23-2)13-17(15)24-3/h6-9,12-13H,4-5,10-11H2,1-3H3/b9-7+
InChIKeyVPZQDBRXUWLGEA-VQHVLOKHSA-N
XLogP3.57
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-4-methyl-6-pyrrolidin-1-ylpyrimidine 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-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-4-methyl-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-4-methyl-6-pyrrolidin-1-ylpyrimidine (CID 18763674) is 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-4-methyl-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-4-methyl-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-4-methyl-6-pyrrolidin-1-ylpyrimidine is COc1ccc(/C=C/c2nc(C)cc(N3CCCC3)n2)c(OC)c1.
What is the InChIKey of 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-4-methyl-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is VPZQDBRXUWLGEA-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-12-19(22-10-4-5-11-22)21-18(20-14)9-7-15-6-8-16(23-2)13-17(15)24-3/h6-9,12-13H,4-5,10-11H2,1-3H3/b9-7+.
What are the key properties of 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-4-methyl-6-pyrrolidin-1-ylpyrimidine?
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-4-methyl-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 325.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-4-methyl-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 18763674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).