2-(4-cyclohexylpiperazin-1-yl)-4-ethoxy-6-methylpyrimidine

C17H28N4O — CID 656154

IUPAC2-(4-cyclohexylpiperazin-1-yl)-4-ethoxy-6-methylpyrimidine
SMILESCCOc1cc(C)nc(N2CCN(C3CCCCC3)CC2)n1
InChIInChI=1S/C17H28N4O/c1-3-22-16-13-14(2)18-17(19-16)21-11-9-20(10-12-21)15-7-5-4-6-8-15/h13,15H,3-12H2,1-2H3
InChIKeyDNPOCEKDUSEHIA-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.64
Rot. Bonds4

About 2-(4-cyclohexylpiperazin-1-yl)-4-ethoxy-6-methylpyrimidine

2-(4-cyclohexylpiperazin-1-yl)-4-ethoxy-6-methylpyrimidine (PubChem CID 656154) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazin-1-yl)-4-ethoxy-6-methylpyrimidine.

Molecular Properties

Compound Name2-(4-cyclohexylpiperazin-1-yl)-4-ethoxy-6-methylpyrimidine
PubChem CID656154
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-(4-cyclohexylpiperazin-1-yl)-4-ethoxy-6-methylpyrimidine
SMILESCCOc1cc(C)nc(N2CCN(C3CCCCC3)CC2)n1
InChIInChI=1S/C17H28N4O/c1-3-22-16-13-14(2)18-17(19-16)21-11-9-20(10-12-21)15-7-5-4-6-8-15/h13,15H,3-12H2,1-2H3
InChIKeyDNPOCEKDUSEHIA-UHFFFAOYSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-cyclohexylpiperazin-1-yl)-4-ethoxy-6-methylpyrimidine 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-cyclohexylpiperazin-1-yl)-4-ethoxy-6-methylpyrimidine?
The IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-4-ethoxy-6-methylpyrimidine (CID 656154) is 2-(4-cyclohexylpiperazin-1-yl)-4-ethoxy-6-methylpyrimidine.
What is the SMILES notation for 2-(4-cyclohexylpiperazin-1-yl)-4-ethoxy-6-methylpyrimidine?
The canonical SMILES for 2-(4-cyclohexylpiperazin-1-yl)-4-ethoxy-6-methylpyrimidine is CCOc1cc(C)nc(N2CCN(C3CCCCC3)CC2)n1.
What is the InChIKey of 2-(4-cyclohexylpiperazin-1-yl)-4-ethoxy-6-methylpyrimidine?
The InChIKey is DNPOCEKDUSEHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-3-22-16-13-14(2)18-17(19-16)21-11-9-20(10-12-21)15-7-5-4-6-8-15/h13,15H,3-12H2,1-2H3.
What are the key properties of 2-(4-cyclohexylpiperazin-1-yl)-4-ethoxy-6-methylpyrimidine?
2-(4-cyclohexylpiperazin-1-yl)-4-ethoxy-6-methylpyrimidine has a molecular weight of 304.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpiperazin-1-yl)-4-ethoxy-6-methylpyrimidine is sourced from PubChem (CID 656154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).