1-ethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperazine-2,5-dione

C13H19N5O2 — CID 80655063

IUPAC1-ethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperazine-2,5-dione
SMILESCCN1CC(=O)N(Cc2nc(C)cc(NC)n2)CC1=O
InChIInChI=1S/C13H19N5O2/c1-4-17-7-13(20)18(8-12(17)19)6-11-15-9(2)5-10(14-3)16-11/h5H,4,6-8H2,1-3H3,(H,14,15,16)
InChIKeyOBJHMWUDTYHZBD-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.02
Rot. Bonds4

About 1-ethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperazine-2,5-dione

1-ethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperazine-2,5-dione (PubChem CID 80655063) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-ethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperazine-2,5-dione
PubChem CID80655063
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name1-ethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperazine-2,5-dione
SMILESCCN1CC(=O)N(Cc2nc(C)cc(NC)n2)CC1=O
InChIInChI=1S/C13H19N5O2/c1-4-17-7-13(20)18(8-12(17)19)6-11-15-9(2)5-10(14-3)16-11/h5H,4,6-8H2,1-3H3,(H,14,15,16)
InChIKeyOBJHMWUDTYHZBD-UHFFFAOYSA-N
XLogP0.02
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperazine-2,5-dione?
The IUPAC name of 1-ethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperazine-2,5-dione (CID 80655063) is 1-ethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperazine-2,5-dione.
What is the SMILES notation for 1-ethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperazine-2,5-dione?
The canonical SMILES for 1-ethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperazine-2,5-dione is CCN1CC(=O)N(Cc2nc(C)cc(NC)n2)CC1=O.
What is the InChIKey of 1-ethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperazine-2,5-dione?
The InChIKey is OBJHMWUDTYHZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-4-17-7-13(20)18(8-12(17)19)6-11-15-9(2)5-10(14-3)16-11/h5H,4,6-8H2,1-3H3,(H,14,15,16).
What are the key properties of 1-ethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperazine-2,5-dione?
1-ethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperazine-2,5-dione has a molecular weight of 277.33 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperazine-2,5-dione is sourced from PubChem (CID 80655063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).