4-[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-6-ethyl-2-methylpyrimidine

C16H28N4O — CID 133460422

IUPAC4-[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-6-ethyl-2-methylpyrimidine
SMILESCCOCCN1CCN(c2cc(CC)nc(C)n2)CC1C
InChIInChI=1S/C16H28N4O/c1-5-15-11-16(18-14(4)17-15)20-8-7-19(13(3)12-20)9-10-21-6-2/h11,13H,5-10,12H2,1-4H3
InChIKeyFHHIRDNQZMXVOU-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.89
Rot. Bonds6

About 4-[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-6-ethyl-2-methylpyrimidine

4-[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-6-ethyl-2-methylpyrimidine (PubChem CID 133460422) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-6-ethyl-2-methylpyrimidine.

Molecular Properties

Compound Name4-[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-6-ethyl-2-methylpyrimidine
PubChem CID133460422
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-6-ethyl-2-methylpyrimidine
SMILESCCOCCN1CCN(c2cc(CC)nc(C)n2)CC1C
InChIInChI=1S/C16H28N4O/c1-5-15-11-16(18-14(4)17-15)20-8-7-19(13(3)12-20)9-10-21-6-2/h11,13H,5-10,12H2,1-4H3
InChIKeyFHHIRDNQZMXVOU-UHFFFAOYSA-N
XLogP1.89
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-6-ethyl-2-methylpyrimidine?
The IUPAC name of 4-[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-6-ethyl-2-methylpyrimidine (CID 133460422) is 4-[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-6-ethyl-2-methylpyrimidine.
What is the SMILES notation for 4-[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-6-ethyl-2-methylpyrimidine?
The canonical SMILES for 4-[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-6-ethyl-2-methylpyrimidine is CCOCCN1CCN(c2cc(CC)nc(C)n2)CC1C.
What is the InChIKey of 4-[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-6-ethyl-2-methylpyrimidine?
The InChIKey is FHHIRDNQZMXVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-15-11-16(18-14(4)17-15)20-8-7-19(13(3)12-20)9-10-21-6-2/h11,13H,5-10,12H2,1-4H3.
What are the key properties of 4-[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-6-ethyl-2-methylpyrimidine?
4-[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-6-ethyl-2-methylpyrimidine has a molecular weight of 292.43 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-6-ethyl-2-methylpyrimidine is sourced from PubChem (CID 133460422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).