3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione

C13H18N4O3 — CID 66326323

IUPAC3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
SMILESCCOc1cc(NC2CCC(=O)N(C)C2=O)nc(C)n1
InChIInChI=1S/C13H18N4O3/c1-4-20-11-7-10(14-8(2)15-11)16-9-5-6-12(18)17(3)13(9)19/h7,9H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyMXKSRCQYHCZFHD-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.74
Rot. Bonds4

About 3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione

3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione (PubChem CID 66326323) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
PubChem CID66326323
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
SMILESCCOc1cc(NC2CCC(=O)N(C)C2=O)nc(C)n1
InChIInChI=1S/C13H18N4O3/c1-4-20-11-7-10(14-8(2)15-11)16-9-5-6-12(18)17(3)13(9)19/h7,9H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyMXKSRCQYHCZFHD-UHFFFAOYSA-N
XLogP0.74
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
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 3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione (CID 66326323) is 3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione is CCOc1cc(NC2CCC(=O)N(C)C2=O)nc(C)n1.
What is the InChIKey of 3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The InChIKey is MXKSRCQYHCZFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-4-20-11-7-10(14-8(2)15-11)16-9-5-6-12(18)17(3)13(9)19/h7,9H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione has a molecular weight of 278.31 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 66326323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).