1-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione

C12H17N5O2 — CID 80856468

IUPAC1-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
SMILESCNc1cc(NC2CCC(=O)N(C)C2=O)nc(C)n1
InChIInChI=1S/C12H17N5O2/c1-7-14-9(13-2)6-10(15-7)16-8-4-5-11(18)17(3)12(8)19/h6,8H,4-5H2,1-3H3,(H2,13,14,15,16)
InChIKeyNMYDPAAINCMKHU-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.39
Rot. Bonds3

About 1-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione

1-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione (PubChem CID 80856468) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name1-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
PubChem CID80856468
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
SMILESCNc1cc(NC2CCC(=O)N(C)C2=O)nc(C)n1
InChIInChI=1S/C12H17N5O2/c1-7-14-9(13-2)6-10(15-7)16-8-4-5-11(18)17(3)12(8)19/h6,8H,4-5H2,1-3H3,(H2,13,14,15,16)
InChIKeyNMYDPAAINCMKHU-UHFFFAOYSA-N
XLogP0.39
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione?
The IUPAC name of 1-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione (CID 80856468) is 1-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione.
What is the SMILES notation for 1-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione?
The canonical SMILES for 1-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione is CNc1cc(NC2CCC(=O)N(C)C2=O)nc(C)n1.
What is the InChIKey of 1-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione?
The InChIKey is NMYDPAAINCMKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-7-14-9(13-2)6-10(15-7)16-8-4-5-11(18)17(3)12(8)19/h6,8H,4-5H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 1-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione?
1-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione has a molecular weight of 263.30 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 80856468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).