4-(1,3-benzodioxol-5-yl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione

C14H12N2O5 — CID 56688422

IUPAC4-(1,3-benzodioxol-5-yl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
SMILESCN1C(=O)NC(c2ccc3c(c2)OCO3)C2=C1COC2=O
InChIInChI=1S/C14H12N2O5/c1-16-8-5-19-13(17)11(8)12(15-14(16)18)7-2-3-9-10(4-7)21-6-20-9/h2-4,12H,5-6H2,1H3,(H,15,18)
InChIKeyAPYGPSNKJZVCDD-UHFFFAOYSA-N
MW288.26 g/mol
LogP0.92
Rot. Bonds1

About 4-(1,3-benzodioxol-5-yl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione

4-(1,3-benzodioxol-5-yl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione (PubChem CID 56688422) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
PubChem CID56688422
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name4-(1,3-benzodioxol-5-yl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
SMILESCN1C(=O)NC(c2ccc3c(c2)OCO3)C2=C1COC2=O
InChIInChI=1S/C14H12N2O5/c1-16-8-5-19-13(17)11(8)12(15-14(16)18)7-2-3-9-10(4-7)21-6-20-9/h2-4,12H,5-6H2,1H3,(H,15,18)
InChIKeyAPYGPSNKJZVCDD-UHFFFAOYSA-N
XLogP0.92
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1,3-benzodioxol-5-yl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione with MolForge

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Related Compounds

(4S)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 42586388
6-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42789208
N-(1,3-benzodioxol-5-yl)-2-[4-(4-methylsulfanylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 53365707
2-ethylsulfanylethyl 6-(1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2863706
4-(1,3-benzodioxol-5-yl)-6-(2-methoxyethyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 5304812
6-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 5045825
(8S)-8-(1,3-benzodioxol-5-yl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
CID 92846250
4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
CID 11631043
4-amino-5-(1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one
CID 79962095
(1R,3aR,4S,6aS)-1,4-bis(1,3-benzodioxol-5-yl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 92542340
(4R)-4-(1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one
CID 7090987
(1R,5S)-1,5-bis(1,3-benzodioxol-5-yl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione
CID 39320078

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione (CID 56688422) is 4-(1,3-benzodioxol-5-yl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione is CN1C(=O)NC(c2ccc3c(c2)OCO3)C2=C1COC2=O.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is APYGPSNKJZVCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-16-8-5-19-13(17)11(8)12(15-14(16)18)7-2-3-9-10(4-7)21-6-20-9/h2-4,12H,5-6H2,1H3,(H,15,18).
What are the key properties of 4-(1,3-benzodioxol-5-yl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
4-(1,3-benzodioxol-5-yl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 288.26 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 56688422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).