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

C11H12N2O3 — CID 141461950

IUPAC2-cyclopropyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
SMILESCC1(C)OC(=O)c2c1nc(C1CC1)[nH]c2=O
InChIInChI=1S/C11H12N2O3/c1-11(2)7-6(10(15)16-11)9(14)13-8(12-7)5-3-4-5/h5H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyJHMNKUKXEFBIRG-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.05
Rot. Bonds1

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

2-cyclopropyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione (PubChem CID 141461950) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-cyclopropyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name2-cyclopropyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
PubChem CID141461950
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-cyclopropyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
SMILESCC1(C)OC(=O)c2c1nc(C1CC1)[nH]c2=O
InChIInChI=1S/C11H12N2O3/c1-11(2)7-6(10(15)16-11)9(14)13-8(12-7)5-3-4-5/h5H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyJHMNKUKXEFBIRG-UHFFFAOYSA-N
XLogP1.05
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione with MolForge

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Related Compounds

Methyl 2-cyclopropyl-4-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 135928696
2,7,7-trimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461929
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
2,7,7-Trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one
CID 172576459
propan-2-yl 2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 136294944
tert-butyl 2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 136294946
ethyl 2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 136294949
tert-butyl 4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxylate
CID 136294950
2-Ethyl-5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one
CID 137272882

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
The IUPAC name of 2-cyclopropyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione (CID 141461950) is 2-cyclopropyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione.
What is the SMILES notation for 2-cyclopropyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
The canonical SMILES for 2-cyclopropyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione is CC1(C)OC(=O)c2c1nc(C1CC1)[nH]c2=O.
What is the InChIKey of 2-cyclopropyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
The InChIKey is JHMNKUKXEFBIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-11(2)7-6(10(15)16-11)9(14)13-8(12-7)5-3-4-5/h5H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 2-cyclopropyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
2-cyclopropyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione has a molecular weight of 220.23 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione is sourced from PubChem (CID 141461950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).