dimethyl pyrimidine-2,5-dicarboxylate

C8H8N2O4 — CID 14470811

IUPACdimethyl pyrimidine-2,5-dicarboxylate
SMILESCOC(=O)c1cnc(C(=O)OC)nc1
InChIInChI=1S/C8H8N2O4/c1-13-7(11)5-3-9-6(10-4-5)8(12)14-2/h3-4H,1-2H3
InChIKeyBBRSRYSYHOLQRT-UHFFFAOYSA-N
MW196.16 g/mol
LogP0.05
Rot. Bonds2

About dimethyl pyrimidine-2,5-dicarboxylate

dimethyl pyrimidine-2,5-dicarboxylate (PubChem CID 14470811) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is dimethyl pyrimidine-2,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl pyrimidine-2,5-dicarboxylate
PubChem CID14470811
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Namedimethyl pyrimidine-2,5-dicarboxylate
SMILESCOC(=O)c1cnc(C(=O)OC)nc1
InChIInChI=1S/C8H8N2O4/c1-13-7(11)5-3-9-6(10-4-5)8(12)14-2/h3-4H,1-2H3
InChIKeyBBRSRYSYHOLQRT-UHFFFAOYSA-N
XLogP0.05
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl pyrimidine-2,5-dicarboxylate?
The IUPAC name of dimethyl pyrimidine-2,5-dicarboxylate (CID 14470811) is dimethyl pyrimidine-2,5-dicarboxylate.
What is the SMILES notation for dimethyl pyrimidine-2,5-dicarboxylate?
The canonical SMILES for dimethyl pyrimidine-2,5-dicarboxylate is COC(=O)c1cnc(C(=O)OC)nc1.
What is the InChIKey of dimethyl pyrimidine-2,5-dicarboxylate?
The InChIKey is BBRSRYSYHOLQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c1-13-7(11)5-3-9-6(10-4-5)8(12)14-2/h3-4H,1-2H3.
What are the key properties of dimethyl pyrimidine-2,5-dicarboxylate?
dimethyl pyrimidine-2,5-dicarboxylate has a molecular weight of 196.16 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl pyrimidine-2,5-dicarboxylate is sourced from PubChem (CID 14470811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).