1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-2,5-dione

C10H11N3O4 — CID 90342170

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-2,5-dione
SMILESCOc1cc(OC)nc(N2C(=O)CCC2=O)n1
InChIInChI=1S/C10H11N3O4/c1-16-6-5-7(17-2)12-10(11-6)13-8(14)3-4-9(13)15/h5H,3-4H2,1-2H3
InChIKeyMYOCPSZRLDVUOA-UHFFFAOYSA-N
MW237.21 g/mol
LogP0.15
Rot. Bonds3

About 1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-2,5-dione

1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-2,5-dione (PubChem CID 90342170) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-2,5-dione
PubChem CID90342170
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-2,5-dione
SMILESCOc1cc(OC)nc(N2C(=O)CCC2=O)n1
InChIInChI=1S/C10H11N3O4/c1-16-6-5-7(17-2)12-10(11-6)13-8(14)3-4-9(13)15/h5H,3-4H2,1-2H3
InChIKeyMYOCPSZRLDVUOA-UHFFFAOYSA-N
XLogP0.15
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 50.15
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

N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 934943
N-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanamide
CID 718572
N-(4,6-dimethoxypyrimidin-2-yl)propanamide
CID 942474
4,6-Dimethoxy-2-pyrrolidin-1-ylpyrimidine
CID 90342261
1-(4,6-Dimethoxypyrimidin-2-yl)piperidine-2,6-dione
CID 90342721
Methyl 3-(4,6-dimethoxypyrimidin-2-yl)propanoate
CID 4252883
1-(4,6-Dimethoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714166
3-(4,6-dimethoxypyrimidin-2-yl)-N-methoxy-N-methylpropanamide
CID 4100972
3-(4,6-Dimethoxypyrimidin-2-yl)propanamide
CID 17984094
4-(4,6-Dimethoxypyrimidin-2-yl)butan-2-one
CID 69875356
1-(4,6-Dimethoxypyrimidin-2-yl)piperidin-2-one
CID 135210790
1-(4,6-Dimethoxypyrimidin-2-yl)-5-methylidenepyrrolidin-2-one
CID 135210791

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-2,5-dione (CID 90342170) is 1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-2,5-dione is COc1cc(OC)nc(N2C(=O)CCC2=O)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-2,5-dione?
The InChIKey is MYOCPSZRLDVUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-16-6-5-7(17-2)12-10(11-6)13-8(14)3-4-9(13)15/h5H,3-4H2,1-2H3.
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-2,5-dione?
1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-2,5-dione has a molecular weight of 237.21 g/mol, XLogP of 0.15, 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)pyrrolidine-2,5-dione is sourced from PubChem (CID 90342170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).