3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one

C11H16N4O — CID 75379309

IUPAC3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one
SMILESCCC1C(=O)NCCN1c1cc(C)ncn1
InChIInChI=1S/C11H16N4O/c1-3-9-11(16)12-4-5-15(9)10-6-8(2)13-7-14-10/h6-7,9H,3-5H2,1-2H3,(H,12,16)
InChIKeyIBALIBJAKYYMSH-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.50
Rot. Bonds2

About 3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one

3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one (PubChem CID 75379309) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one
PubChem CID75379309
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one
SMILESCCC1C(=O)NCCN1c1cc(C)ncn1
InChIInChI=1S/C11H16N4O/c1-3-9-11(16)12-4-5-15(9)10-6-8(2)13-7-14-10/h6-7,9H,3-5H2,1-2H3,(H,12,16)
InChIKeyIBALIBJAKYYMSH-UHFFFAOYSA-N
XLogP0.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one (CID 75379309) is 3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one is CCC1C(=O)NCCN1c1cc(C)ncn1.
What is the InChIKey of 3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one?
The InChIKey is IBALIBJAKYYMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-9-11(16)12-4-5-15(9)10-6-8(2)13-7-14-10/h6-7,9H,3-5H2,1-2H3,(H,12,16).
What are the key properties of 3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one?
3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one has a molecular weight of 220.28 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one is sourced from PubChem (CID 75379309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).