4-(4-ethylpiperazin-1-yl)-2,6-dimethylpyrimidine

C12H20N4 — CID 16876770

IUPAC4-(4-ethylpiperazin-1-yl)-2,6-dimethylpyrimidine
SMILESCCN1CCN(c2cc(C)nc(C)n2)CC1
InChIInChI=1S/C12H20N4/c1-4-15-5-7-16(8-6-15)12-9-10(2)13-11(3)14-12/h9H,4-8H2,1-3H3
InChIKeyVYQODWFGEAOMAD-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.24
Rot. Bonds2

About 4-(4-ethylpiperazin-1-yl)-2,6-dimethylpyrimidine

4-(4-ethylpiperazin-1-yl)-2,6-dimethylpyrimidine (PubChem CID 16876770) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-2,6-dimethylpyrimidine
PubChem CID16876770
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-(4-ethylpiperazin-1-yl)-2,6-dimethylpyrimidine
SMILESCCN1CCN(c2cc(C)nc(C)n2)CC1
InChIInChI=1S/C12H20N4/c1-4-15-5-7-16(8-6-15)12-9-10(2)13-11(3)14-12/h9H,4-8H2,1-3H3
InChIKeyVYQODWFGEAOMAD-UHFFFAOYSA-N
XLogP1.24
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-2,6-dimethylpyrimidine?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-2,6-dimethylpyrimidine (CID 16876770) is 4-(4-ethylpiperazin-1-yl)-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-2,6-dimethylpyrimidine?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-2,6-dimethylpyrimidine is CCN1CCN(c2cc(C)nc(C)n2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-2,6-dimethylpyrimidine?
The InChIKey is VYQODWFGEAOMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-4-15-5-7-16(8-6-15)12-9-10(2)13-11(3)14-12/h9H,4-8H2,1-3H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-2,6-dimethylpyrimidine?
4-(4-ethylpiperazin-1-yl)-2,6-dimethylpyrimidine has a molecular weight of 220.32 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-2,6-dimethylpyrimidine is sourced from PubChem (CID 16876770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).