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

C11H14N2O3 — CID 141461940

IUPAC7,7-dimethyl-2-propyl-3H-furo[3,4-d]pyrimidine-4,5-dione
SMILESCCCc1nc2c(c(=O)[nH]1)C(=O)OC2(C)C
InChIInChI=1S/C11H14N2O3/c1-4-5-6-12-8-7(9(14)13-6)10(15)16-11(8,2)3/h4-5H2,1-3H3,(H,12,13,14)
InChIKeyZUJAAVOLMLLKNW-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.13
Rot. Bonds2

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

7,7-dimethyl-2-propyl-3H-furo[3,4-d]pyrimidine-4,5-dione (PubChem CID 141461940) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 7,7-dimethyl-2-propyl-3H-furo[3,4-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name7,7-dimethyl-2-propyl-3H-furo[3,4-d]pyrimidine-4,5-dione
PubChem CID141461940
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name7,7-dimethyl-2-propyl-3H-furo[3,4-d]pyrimidine-4,5-dione
SMILESCCCc1nc2c(c(=O)[nH]1)C(=O)OC2(C)C
InChIInChI=1S/C11H14N2O3/c1-4-5-6-12-8-7(9(14)13-6)10(15)16-11(8,2)3/h4-5H2,1-3H3,(H,12,13,14)
InChIKeyZUJAAVOLMLLKNW-UHFFFAOYSA-N
XLogP1.13
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.13
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
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-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
2,7,7-Trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one
CID 172576459
tert-butyl 2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 136294946
tert-butyl 4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxylate
CID 136294950
methyl 4-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 137258023
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 7,7-dimethyl-2-propyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
The IUPAC name of 7,7-dimethyl-2-propyl-3H-furo[3,4-d]pyrimidine-4,5-dione (CID 141461940) is 7,7-dimethyl-2-propyl-3H-furo[3,4-d]pyrimidine-4,5-dione.
What is the SMILES notation for 7,7-dimethyl-2-propyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
The canonical SMILES for 7,7-dimethyl-2-propyl-3H-furo[3,4-d]pyrimidine-4,5-dione is CCCc1nc2c(c(=O)[nH]1)C(=O)OC2(C)C.
What is the InChIKey of 7,7-dimethyl-2-propyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
The InChIKey is ZUJAAVOLMLLKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-4-5-6-12-8-7(9(14)13-6)10(15)16-11(8,2)3/h4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 7,7-dimethyl-2-propyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
7,7-dimethyl-2-propyl-3H-furo[3,4-d]pyrimidine-4,5-dione has a molecular weight of 222.24 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-propyl-3H-furo[3,4-d]pyrimidine-4,5-dione is sourced from PubChem (CID 141461940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).