5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one

C8H10N2O2 — CID 137262486

IUPAC5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one
SMILESCC1(C)OCc2nc[nH]c(=O)c21
InChIInChI=1S/C8H10N2O2/c1-8(2)6-5(3-12-8)9-4-10-7(6)11/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyLEHCHURDVVQJGS-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.54
Rot. Bonds

About 5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one

5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one (PubChem CID 137262486) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one
PubChem CID137262486
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one
SMILESCC1(C)OCc2nc[nH]c(=O)c21
InChIInChI=1S/C8H10N2O2/c1-8(2)6-5(3-12-8)9-4-10-7(6)11/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyLEHCHURDVVQJGS-UHFFFAOYSA-N
XLogP0.54
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-5,7-dihydrofuro[3,4-D]pyrimidin-4(3H)-one
CID 135741900
Ethyl 5-Ethyl-6-hydroxypyrimidine-4-carboxylate
CID 136452784
7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461933
Ethane;3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 144956136
2-Chloro-7,7-dimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one
CID 172576423
2-Amino-5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one
CID 137265500
2-Ethyl-5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one
CID 137272882
2-amino-5-methyl-5H,7H-furo[3,4-d]pyrimidin-4-ol
CID 165525688

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one?
The IUPAC name of 5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one (CID 137262486) is 5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one?
The canonical SMILES for 5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one is CC1(C)OCc2nc[nH]c(=O)c21.
What is the InChIKey of 5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one?
The InChIKey is LEHCHURDVVQJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-8(2)6-5(3-12-8)9-4-10-7(6)11/h4H,3H2,1-2H3,(H,9,10,11).
What are the key properties of 5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one?
5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one has a molecular weight of 166.18 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137262486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).