3,7-dihydrofuro[3,4-d]pyrimidine-4,5-dione

C6H4N2O3 — CID 141461949

IUPAC3,7-dihydrofuro[3,4-d]pyrimidine-4,5-dione
SMILESO=C1OCc2nc[nH]c(=O)c21
InChIInChI=1S/C6H4N2O3/c9-5-4-3(7-2-8-5)1-11-6(4)10/h2H,1H2,(H,7,8,9)
InChIKeyIJXJELKTUTYAHL-UHFFFAOYSA-N
MW152.11 g/mol
LogP-0.56
Rot. Bonds

About 3,7-dihydrofuro[3,4-d]pyrimidine-4,5-dione

3,7-dihydrofuro[3,4-d]pyrimidine-4,5-dione (PubChem CID 141461949) has the molecular formula C6H4N2O3 and a molecular weight of 152.11 g/mol. Its IUPAC name is 3,7-dihydrofuro[3,4-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name3,7-dihydrofuro[3,4-d]pyrimidine-4,5-dione
PubChem CID141461949
Molecular FormulaC6H4N2O3
Molecular Weight152.11 g/mol
Exact Mass152.02
IUPAC Name3,7-dihydrofuro[3,4-d]pyrimidine-4,5-dione
SMILESO=C1OCc2nc[nH]c(=O)c21
InChIInChI=1S/C6H4N2O3/c9-5-4-3(7-2-8-5)1-11-6(4)10/h2H,1H2,(H,7,8,9)
InChIKeyIJXJELKTUTYAHL-UHFFFAOYSA-N
XLogP-0.56
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 6-ethyl-4-hydroxypyrimidine-5-carboxylate
CID 135616682
5,7-Dihydrofuro[3,4-D]pyrimidin-4(3H)-one
CID 135741903
Ethyl 6-hydroxy-5-methylpyrimidine-4-carboxylate
CID 136037338
Ethyl 4-hydroxy-6-methylpyrimidine-5-carboxylate
CID 136058045
7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461933
Methyl 4-hydroxy-6-methylpyrimidine-5-carboxylate
CID 136316351
methyl 4-(aminomethyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 136316431

Frequently Asked Questions

What is the IUPAC name of 3,7-dihydrofuro[3,4-d]pyrimidine-4,5-dione?
The IUPAC name of 3,7-dihydrofuro[3,4-d]pyrimidine-4,5-dione (CID 141461949) is 3,7-dihydrofuro[3,4-d]pyrimidine-4,5-dione.
What is the SMILES notation for 3,7-dihydrofuro[3,4-d]pyrimidine-4,5-dione?
The canonical SMILES for 3,7-dihydrofuro[3,4-d]pyrimidine-4,5-dione is O=C1OCc2nc[nH]c(=O)c21.
What is the InChIKey of 3,7-dihydrofuro[3,4-d]pyrimidine-4,5-dione?
The InChIKey is IJXJELKTUTYAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O3/c9-5-4-3(7-2-8-5)1-11-6(4)10/h2H,1H2,(H,7,8,9).
What are the key properties of 3,7-dihydrofuro[3,4-d]pyrimidine-4,5-dione?
3,7-dihydrofuro[3,4-d]pyrimidine-4,5-dione has a molecular weight of 152.11 g/mol, XLogP of -0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydrofuro[3,4-d]pyrimidine-4,5-dione is sourced from PubChem (CID 141461949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).