4-(2-ethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine

C12H20N4O — CID 66327162

IUPAC4-(2-ethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine
SMILESCCC1CNCCN1c1ncnc(OC)c1C
InChIInChI=1S/C12H20N4O/c1-4-10-7-13-5-6-16(10)11-9(2)12(17-3)15-8-14-11/h8,10,13H,4-7H2,1-3H3
InChIKeyUXUAMHVGWOSTNJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.98
Rot. Bonds3

About 4-(2-ethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine

4-(2-ethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine (PubChem CID 66327162) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-(2-ethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine.

Molecular Properties

Compound Name4-(2-ethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine
PubChem CID66327162
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-(2-ethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine
SMILESCCC1CNCCN1c1ncnc(OC)c1C
InChIInChI=1S/C12H20N4O/c1-4-10-7-13-5-6-16(10)11-9(2)12(17-3)15-8-14-11/h8,10,13H,4-7H2,1-3H3
InChIKeyUXUAMHVGWOSTNJ-UHFFFAOYSA-N
XLogP0.98
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine?
The IUPAC name of 4-(2-ethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine (CID 66327162) is 4-(2-ethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine.
What is the SMILES notation for 4-(2-ethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine?
The canonical SMILES for 4-(2-ethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine is CCC1CNCCN1c1ncnc(OC)c1C.
What is the InChIKey of 4-(2-ethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine?
The InChIKey is UXUAMHVGWOSTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-10-7-13-5-6-16(10)11-9(2)12(17-3)15-8-14-11/h8,10,13H,4-7H2,1-3H3.
What are the key properties of 4-(2-ethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine?
4-(2-ethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine has a molecular weight of 236.32 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine is sourced from PubChem (CID 66327162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).