2,7,7-trimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione

C9H10N2O3 — CID 141461929

IUPAC2,7,7-trimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
SMILESCc1nc2c(c(=O)[nH]1)C(=O)OC2(C)C
InChIInChI=1S/C9H10N2O3/c1-4-10-6-5(7(12)11-4)8(13)14-9(6,2)3/h1-3H3,(H,10,11,12)
InChIKeyLMIYTWOPMRWHEJ-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.48
Rot. Bonds

About 2,7,7-trimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione

2,7,7-trimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione (PubChem CID 141461929) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2,7,7-trimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name2,7,7-trimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
PubChem CID141461929
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2,7,7-trimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
SMILESCc1nc2c(c(=O)[nH]1)C(=O)OC2(C)C
InChIInChI=1S/C9H10N2O3/c1-4-10-6-5(7(12)11-4)8(13)14-9(6,2)3/h1-3H3,(H,10,11,12)
InChIKeyLMIYTWOPMRWHEJ-UHFFFAOYSA-N
XLogP0.48
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5,7-trimethyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
CID 136442752
2,7-dimethyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
CID 136442772
7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461933
7,7-dimethyl-2-propyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461940
2-tert-butyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461941
2-tert-butyl-7,7-diethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461942
2-methoxy-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461945
2-cyclopropyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461950
methyl 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 142395249
Ethyl 1,6-dihydro-2,4-dimethyl-6-oxo-5-pyrimidinecarboxylate
CID 154942155
2,7,7-Trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one
CID 172576459
tert-butyl 4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxylate
CID 136294950

Frequently Asked Questions

What is the IUPAC name of 2,7,7-trimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
The IUPAC name of 2,7,7-trimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione (CID 141461929) is 2,7,7-trimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione.
What is the SMILES notation for 2,7,7-trimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
The canonical SMILES for 2,7,7-trimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione is Cc1nc2c(c(=O)[nH]1)C(=O)OC2(C)C.
What is the InChIKey of 2,7,7-trimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
The InChIKey is LMIYTWOPMRWHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-4-10-6-5(7(12)11-4)8(13)14-9(6,2)3/h1-3H3,(H,10,11,12).
What are the key properties of 2,7,7-trimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
2,7,7-trimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione has a molecular weight of 194.19 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,7-trimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione is sourced from PubChem (CID 141461929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).