7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione

C8H8N2O3 — CID 141461933

IUPAC7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
SMILESCC1(C)OC(=O)c2c1nc[nH]c2=O
InChIInChI=1S/C8H8N2O3/c1-8(2)5-4(7(12)13-8)6(11)10-3-9-5/h3H,1-2H3,(H,9,10,11)
InChIKeyLWVTWPJQYYJEML-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.18
Rot. Bonds

About 7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione

7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione (PubChem CID 141461933) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
PubChem CID141461933
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
SMILESCC1(C)OC(=O)c2c1nc[nH]c2=O
InChIInChI=1S/C8H8N2O3/c1-8(2)5-4(7(12)13-8)6(11)10-3-9-5/h3H,1-2H3,(H,9,10,11)
InChIKeyLWVTWPJQYYJEML-UHFFFAOYSA-N
XLogP0.18
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 6-ethyl-4-hydroxypyrimidine-5-carboxylate
CID 135616682
5-Methyl-5,7-dihydrofuro[3,4-D]pyrimidin-4(3H)-one
CID 135741900
2,7,7-trimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461929
2-tert-butyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461941
2-methoxy-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461945
3,7-Dihydrofuro[3,4-d]pyrimidine-4,5-dione
CID 141461949
methyl 4-ethyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 137204360
5,5-Dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one
CID 137262486

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
The IUPAC name of 7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione (CID 141461933) is 7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione.
What is the SMILES notation for 7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
The canonical SMILES for 7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione is CC1(C)OC(=O)c2c1nc[nH]c2=O.
What is the InChIKey of 7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
The InChIKey is LWVTWPJQYYJEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-8(2)5-4(7(12)13-8)6(11)10-3-9-5/h3H,1-2H3,(H,9,10,11).
What are the key properties of 7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione has a molecular weight of 180.16 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione is sourced from PubChem (CID 141461933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).