1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2,6-dione

C11H13N3O4 — CID 90342721

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2,6-dione
SMILESCOc1cc(OC)nc(N2C(=O)CCCC2=O)n1
InChIInChI=1S/C11H13N3O4/c1-17-7-6-8(18-2)13-11(12-7)14-9(15)4-3-5-10(14)16/h6H,3-5H2,1-2H3
InChIKeyWKFAFVZWKRFVBJ-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.54
Rot. Bonds3

About 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2,6-dione

1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2,6-dione (PubChem CID 90342721) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2,6-dione
PubChem CID90342721
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2,6-dione
SMILESCOc1cc(OC)nc(N2C(=O)CCCC2=O)n1
InChIInChI=1S/C11H13N3O4/c1-17-7-6-8(18-2)13-11(12-7)14-9(15)4-3-5-10(14)16/h6H,3-5H2,1-2H3
InChIKeyWKFAFVZWKRFVBJ-UHFFFAOYSA-N
XLogP0.54
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4,6-Dimethoxypyrimidin-2-yl)pyrrolidine-2,5-dione
CID 90342170
4,6-Dimethoxy-2-piperidin-1-ylpyrimidine
CID 90342172
3-[(4,6-dimethoxy-2-pyrimidinyl)amino]-2,6-Piperidinedione
CID 115355191
1-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 4114157
1-(4,6-Dimethoxypyrimidin-2-yl)piperidin-4-one
CID 66701539
4-(4,6-Dimethoxypyrimidin-2-yl)butan-2-one
CID 69875356
1-(4,6-Dimethoxypyrimidin-2-yl)piperidin-2-one
CID 135210790
methyl N-(4,6-dimethoxypyrimidin-2-yl)-N-methoxycarbonylcarbamate
CID 141884242
3-[(4,6-Dimethoxypyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 104434556
5-amino-N-(4,6-dimethoxypyrimidin-2-yl)pentanamide
CID 107625809
1-(4,6-Dimethoxypyrimidin-2-yl)pyrrole-2,5-dione
CID 107626313
1-(4,6-Dimethoxypyrimidin-2-yl)piperidine-3-carbaldehyde
CID 113293060

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2,6-dione?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2,6-dione (CID 90342721) is 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2,6-dione?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2,6-dione is COc1cc(OC)nc(N2C(=O)CCCC2=O)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2,6-dione?
The InChIKey is WKFAFVZWKRFVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-17-7-6-8(18-2)13-11(12-7)14-9(15)4-3-5-10(14)16/h6H,3-5H2,1-2H3.
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2,6-dione?
1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2,6-dione has a molecular weight of 251.24 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 90342721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).