4-ethoxy-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine

C21H25N5O — CID 20779044

IUPAC4-ethoxy-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine
SMILESCCOc1ncnc(N2CCC(c3nc[nH]c3C)CC2)c1-c1ccccc1
InChIInChI=1S/C21H25N5O/c1-3-27-21-18(16-7-5-4-6-8-16)20(24-14-25-21)26-11-9-17(10-12-26)19-15(2)22-13-23-19/h4-8,13-14,17H,3,9-12H2,1-2H3,(H,22,23)
InChIKeyXVJHCYVTUCYGCH-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.96
Rot. Bonds5

About 4-ethoxy-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine

4-ethoxy-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine (PubChem CID 20779044) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-ethoxy-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine.

Molecular Properties

Compound Name4-ethoxy-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine
PubChem CID20779044
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name4-ethoxy-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine
SMILESCCOc1ncnc(N2CCC(c3nc[nH]c3C)CC2)c1-c1ccccc1
InChIInChI=1S/C21H25N5O/c1-3-27-21-18(16-7-5-4-6-8-16)20(24-14-25-21)26-11-9-17(10-12-26)19-15(2)22-13-23-19/h4-8,13-14,17H,3,9-12H2,1-2H3,(H,22,23)
InChIKeyXVJHCYVTUCYGCH-UHFFFAOYSA-N
XLogP3.96
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethoxy-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-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-ethoxy-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine?
The IUPAC name of 4-ethoxy-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine (CID 20779044) is 4-ethoxy-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine.
What is the SMILES notation for 4-ethoxy-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine?
The canonical SMILES for 4-ethoxy-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine is CCOc1ncnc(N2CCC(c3nc[nH]c3C)CC2)c1-c1ccccc1.
What is the InChIKey of 4-ethoxy-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine?
The InChIKey is XVJHCYVTUCYGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-3-27-21-18(16-7-5-4-6-8-16)20(24-14-25-21)26-11-9-17(10-12-26)19-15(2)22-13-23-19/h4-8,13-14,17H,3,9-12H2,1-2H3,(H,22,23).
What are the key properties of 4-ethoxy-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine?
4-ethoxy-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine has a molecular weight of 363.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine is sourced from PubChem (CID 20779044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).