4-[3-(4-ethylpiperazin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine

C20H28N4O — CID 118722997

IUPAC4-[3-(4-ethylpiperazin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine
SMILESCCN1CCN(CCCOc2cc(C)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H28N4O/c1-3-23-11-13-24(14-12-23)10-7-15-25-19-16-17(2)21-20(22-19)18-8-5-4-6-9-18/h4-6,8-9,16H,3,7,10-15H2,1-2H3
InChIKeyXZCVRXCJHVELHO-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.86
Rot. Bonds7

About 4-[3-(4-ethylpiperazin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine

4-[3-(4-ethylpiperazin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine (PubChem CID 118722997) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-[3-(4-ethylpiperazin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-[3-(4-ethylpiperazin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine
PubChem CID118722997
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name4-[3-(4-ethylpiperazin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine
SMILESCCN1CCN(CCCOc2cc(C)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H28N4O/c1-3-23-11-13-24(14-12-23)10-7-15-25-19-16-17(2)21-20(22-19)18-8-5-4-6-9-18/h4-6,8-9,16H,3,7,10-15H2,1-2H3
InChIKeyXZCVRXCJHVELHO-UHFFFAOYSA-N
XLogP2.86
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-(4-ethylpiperazin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine 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 4-[3-(4-ethylpiperazin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine?
The IUPAC name of 4-[3-(4-ethylpiperazin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine (CID 118722997) is 4-[3-(4-ethylpiperazin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine.
What is the SMILES notation for 4-[3-(4-ethylpiperazin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine?
The canonical SMILES for 4-[3-(4-ethylpiperazin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine is CCN1CCN(CCCOc2cc(C)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of 4-[3-(4-ethylpiperazin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine?
The InChIKey is XZCVRXCJHVELHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-3-23-11-13-24(14-12-23)10-7-15-25-19-16-17(2)21-20(22-19)18-8-5-4-6-9-18/h4-6,8-9,16H,3,7,10-15H2,1-2H3.
What are the key properties of 4-[3-(4-ethylpiperazin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine?
4-[3-(4-ethylpiperazin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine has a molecular weight of 340.47 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethylpiperazin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine is sourced from PubChem (CID 118722997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).