5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methylpyrimidine

C13H22N4O — CID 73440651

IUPAC5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methylpyrimidine
SMILESCOCCN1CCN(Cc2cnc(C)nc2)CC1
InChIInChI=1S/C13H22N4O/c1-12-14-9-13(10-15-12)11-17-5-3-16(4-6-17)7-8-18-2/h9-10H,3-8,11H2,1-2H3
InChIKeyOEJMJGROFBRXRD-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.55
Rot. Bonds5

About 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methylpyrimidine

5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methylpyrimidine (PubChem CID 73440651) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methylpyrimidine.

Molecular Properties

Compound Name5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methylpyrimidine
PubChem CID73440651
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methylpyrimidine
SMILESCOCCN1CCN(Cc2cnc(C)nc2)CC1
InChIInChI=1S/C13H22N4O/c1-12-14-9-13(10-15-12)11-17-5-3-16(4-6-17)7-8-18-2/h9-10H,3-8,11H2,1-2H3
InChIKeyOEJMJGROFBRXRD-UHFFFAOYSA-N
XLogP0.55
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methylpyrimidine?
The IUPAC name of 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methylpyrimidine (CID 73440651) is 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methylpyrimidine.
What is the SMILES notation for 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methylpyrimidine?
The canonical SMILES for 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methylpyrimidine is COCCN1CCN(Cc2cnc(C)nc2)CC1.
What is the InChIKey of 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methylpyrimidine?
The InChIKey is OEJMJGROFBRXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-12-14-9-13(10-15-12)11-17-5-3-16(4-6-17)7-8-18-2/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methylpyrimidine?
5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methylpyrimidine has a molecular weight of 250.35 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methylpyrimidine is sourced from PubChem (CID 73440651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).