1-[(3aR,5R,6aR)-3a,5,6,6a-tetrahydro-3H-diselenolo[4,3-b]furan-5-yl]-5-methylpyrimidine-2,4-dione

C10H12N2O3Se2 — CID 102084772

IUPAC1-[(3aR,5R,6aR)-3a,5,6,6a-tetrahydro-3H-diselenolo[4,3-b]furan-5-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@H]3[Se][Se]C[C@H]3O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H12N2O3Se2/c1-5-3-12(10(14)11-9(5)13)8-2-7-6(15-8)4-16-17-7/h3,6-8H,2,4H2,1H3,(H,11,13,14)/t6-,7-,8-/m1/s1
InChIKeyGGXBWMKNJJKSNM-BWZBUEFSSA-N
MW366.14 g/mol
LogP-0.32
Rot. Bonds1

About 1-[(3aR,5R,6aR)-3a,5,6,6a-tetrahydro-3H-diselenolo[4,3-b]furan-5-yl]-5-methylpyrimidine-2,4-dione

1-[(3aR,5R,6aR)-3a,5,6,6a-tetrahydro-3H-diselenolo[4,3-b]furan-5-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 102084772) has the molecular formula C10H12N2O3Se2 and a molecular weight of 366.14 g/mol. Its IUPAC name is 1-[(3aR,5R,6aR)-3a,5,6,6a-tetrahydro-3H-diselenolo[4,3-b]furan-5-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3aR,5R,6aR)-3a,5,6,6a-tetrahydro-3H-diselenolo[4,3-b]furan-5-yl]-5-methylpyrimidine-2,4-dione
PubChem CID102084772
Molecular FormulaC10H12N2O3Se2
Molecular Weight366.14 g/mol
Exact Mass367.92
IUPAC Name1-[(3aR,5R,6aR)-3a,5,6,6a-tetrahydro-3H-diselenolo[4,3-b]furan-5-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@H]3[Se][Se]C[C@H]3O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H12N2O3Se2/c1-5-3-12(10(14)11-9(5)13)8-2-7-6(15-8)4-16-17-7/h3,6-8H,2,4H2,1H3,(H,11,13,14)/t6-,7-,8-/m1/s1
InChIKeyGGXBWMKNJJKSNM-BWZBUEFSSA-N
XLogP-0.32
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.14
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-[(3aR,5R,6aR)-3a,5,6,6a-tetrahydro-3H-diselenolo[4,3-b]furan-5-yl]-5-methylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S,5R)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde
CID 170212817
1-[(2R,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 1277936
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 174884873
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methyl(1,3-15N2)pyrimidine-2,4-dione
CID 118855773
[(2S,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylazanium
CID 7272008
1-[(1S,3R)-6-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]-5-methylpyrimidine-2,4-dione
CID 139505571
1-[(2R,5S)-4-hydroxy-5-(iodomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 57079111
1-[(2R,4S,5R)-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175678261
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;mercury
CID 174898498
1-[(2R,4S,5S)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7272011
1-[(2R,4S,5R)-4-methoxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 142489157
1-[(2S,5R)-4,5-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 154531744

Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,5R,6aR)-3a,5,6,6a-tetrahydro-3H-diselenolo[4,3-b]furan-5-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(3aR,5R,6aR)-3a,5,6,6a-tetrahydro-3H-diselenolo[4,3-b]furan-5-yl]-5-methylpyrimidine-2,4-dione (CID 102084772) is 1-[(3aR,5R,6aR)-3a,5,6,6a-tetrahydro-3H-diselenolo[4,3-b]furan-5-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3aR,5R,6aR)-3a,5,6,6a-tetrahydro-3H-diselenolo[4,3-b]furan-5-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(3aR,5R,6aR)-3a,5,6,6a-tetrahydro-3H-diselenolo[4,3-b]furan-5-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2C[C@H]3[Se][Se]C[C@H]3O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(3aR,5R,6aR)-3a,5,6,6a-tetrahydro-3H-diselenolo[4,3-b]furan-5-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is GGXBWMKNJJKSNM-BWZBUEFSSA-N. The full InChI is InChI=1S/C10H12N2O3Se2/c1-5-3-12(10(14)11-9(5)13)8-2-7-6(15-8)4-16-17-7/h3,6-8H,2,4H2,1H3,(H,11,13,14)/t6-,7-,8-/m1/s1.
What are the key properties of 1-[(3aR,5R,6aR)-3a,5,6,6a-tetrahydro-3H-diselenolo[4,3-b]furan-5-yl]-5-methylpyrimidine-2,4-dione?
1-[(3aR,5R,6aR)-3a,5,6,6a-tetrahydro-3H-diselenolo[4,3-b]furan-5-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 366.14 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,5R,6aR)-3a,5,6,6a-tetrahydro-3H-diselenolo[4,3-b]furan-5-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 102084772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).