5-methyl-1-[(1R,3S,5R)-5-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione

C11H14N2O4 — CID 10421694

IUPAC5-methyl-1-[(1R,3S,5R)-5-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione
SMILESCc1cn([C@@H]2C[C@@]3(C)OC[C@H]3O2)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O4/c1-6-4-13(10(15)12-9(6)14)8-3-11(2)7(17-8)5-16-11/h4,7-8H,3,5H2,1-2H3,(H,12,14,15)/t7-,8+,11-/m1/s1
InChIKeyBLZOPXNBKWWQAG-VHSKPIJISA-N
MW238.24 g/mol
LogP-0.08
Rot. Bonds1

About 5-methyl-1-[(1R,3S,5R)-5-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione

5-methyl-1-[(1R,3S,5R)-5-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione (PubChem CID 10421694) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-methyl-1-[(1R,3S,5R)-5-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[(1R,3S,5R)-5-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione
PubChem CID10421694
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name5-methyl-1-[(1R,3S,5R)-5-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione
SMILESCc1cn([C@@H]2C[C@@]3(C)OC[C@H]3O2)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O4/c1-6-4-13(10(15)12-9(6)14)8-3-11(2)7(17-8)5-16-11/h4,7-8H,3,5H2,1-2H3,(H,12,14,15)/t7-,8+,11-/m1/s1
InChIKeyBLZOPXNBKWWQAG-VHSKPIJISA-N
XLogP-0.08
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-1-[(1R,3S,5R)-5-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-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

1-[(2R,5S)-4,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 59278856
methyl (2S,3R,5S)-2-(hydroxymethyl)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate
CID 25061748
methyl (2S)-2-(hydroxymethyl)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate
CID 59278881
1-[4-acetyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 22555905
1-[(2R,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 1277936
1-(7,7-dimethyl-6,8-dioxaspiro[3.5]nonan-2-yl)-5-methylpyrimidine-2,4-dione
CID 638926
1-[(2R,4S,5R)-4,5-dihydroxyoxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14079545
1-[(2R)-4,5-dihydroxyoxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 25134798
(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
CID 11356875
1-[(1S,3R)-6-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]-5-methylpyrimidine-2,4-dione
CID 139505571
1-[(2R,3aR,6R,6aR)-3a,6-dihydroxy-2,3,6,6a-tetrahydrocyclopenta[b]furan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11459791
1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 71028658

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(1R,3S,5R)-5-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[(1R,3S,5R)-5-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione (CID 10421694) is 5-methyl-1-[(1R,3S,5R)-5-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[(1R,3S,5R)-5-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[(1R,3S,5R)-5-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione is Cc1cn([C@@H]2C[C@@]3(C)OC[C@H]3O2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[(1R,3S,5R)-5-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione?
The InChIKey is BLZOPXNBKWWQAG-VHSKPIJISA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6-4-13(10(15)12-9(6)14)8-3-11(2)7(17-8)5-16-11/h4,7-8H,3,5H2,1-2H3,(H,12,14,15)/t7-,8+,11-/m1/s1.
What are the key properties of 5-methyl-1-[(1R,3S,5R)-5-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione?
5-methyl-1-[(1R,3S,5R)-5-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione has a molecular weight of 238.24 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(1R,3S,5R)-5-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 10421694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).