3,3-dimethyl-4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione

C12H17N5O2 — CID 80851385

IUPAC3,3-dimethyl-4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
SMILESCNc1nc(C)cc(N2CC(=O)NC(=O)C2(C)C)n1
InChIInChI=1S/C12H17N5O2/c1-7-5-8(15-11(13-4)14-7)17-6-9(18)16-10(19)12(17,2)3/h5H,6H2,1-4H3,(H,13,14,15)(H,16,18,19)
InChIKeyOEJMUHXNCWQZHN-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.07
Rot. Bonds2

About 3,3-dimethyl-4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione

3,3-dimethyl-4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione (PubChem CID 80851385) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3,3-dimethyl-4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
PubChem CID80851385
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name3,3-dimethyl-4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
SMILESCNc1nc(C)cc(N2CC(=O)NC(=O)C2(C)C)n1
InChIInChI=1S/C12H17N5O2/c1-7-5-8(15-11(13-4)14-7)17-6-9(18)16-10(19)12(17,2)3/h5H,6H2,1-4H3,(H,13,14,15)(H,16,18,19)
InChIKeyOEJMUHXNCWQZHN-UHFFFAOYSA-N
XLogP0.07
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3,3-dimethyl-4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione (CID 80851385) is 3,3-dimethyl-4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione is CNc1nc(C)cc(N2CC(=O)NC(=O)C2(C)C)n1.
What is the InChIKey of 3,3-dimethyl-4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione?
The InChIKey is OEJMUHXNCWQZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-7-5-8(15-11(13-4)14-7)17-6-9(18)16-10(19)12(17,2)3/h5H,6H2,1-4H3,(H,13,14,15)(H,16,18,19).
What are the key properties of 3,3-dimethyl-4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione?
3,3-dimethyl-4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione has a molecular weight of 263.30 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione is sourced from PubChem (CID 80851385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).