3-ethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one

C11H17N5O — CID 80833683

IUPAC3-ethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one
SMILESCCC1C(=O)NCCN1c1cc(NC)ncn1
InChIInChI=1S/C11H17N5O/c1-3-8-11(17)13-4-5-16(8)10-6-9(12-2)14-7-15-10/h6-8H,3-5H2,1-2H3,(H,13,17)(H,12,14,15)
InChIKeySDHCXCJYCFUCFC-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.23
Rot. Bonds3

About 3-ethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one

3-ethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one (PubChem CID 80833683) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-ethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one
PubChem CID80833683
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name3-ethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one
SMILESCCC1C(=O)NCCN1c1cc(NC)ncn1
InChIInChI=1S/C11H17N5O/c1-3-8-11(17)13-4-5-16(8)10-6-9(12-2)14-7-15-10/h6-8H,3-5H2,1-2H3,(H,13,17)(H,12,14,15)
InChIKeySDHCXCJYCFUCFC-UHFFFAOYSA-N
XLogP0.23
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one (CID 80833683) is 3-ethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one is CCC1C(=O)NCCN1c1cc(NC)ncn1.
What is the InChIKey of 3-ethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one?
The InChIKey is SDHCXCJYCFUCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-3-8-11(17)13-4-5-16(8)10-6-9(12-2)14-7-15-10/h6-8H,3-5H2,1-2H3,(H,13,17)(H,12,14,15).
What are the key properties of 3-ethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one?
3-ethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 80833683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).