[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl acetate

C11H14N2O6 — CID 11265695

IUPAC[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1OC[C@H](n2cc(C)c(=O)[nH]c2=O)O1
InChIInChI=1S/C11H14N2O6/c1-6-3-13(11(16)12-10(6)15)8-4-18-9(19-8)5-17-7(2)14/h3,8-9H,4-5H2,1-2H3,(H,12,15,16)/t8-,9-/m1/s1
InChIKeyGLVAKIYXQBHQCC-RKDXNWHRSA-N
MW270.24 g/mol
LogP-0.72
Rot. Bonds3

About [(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl acetate

[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl acetate (PubChem CID 11265695) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is [(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl acetate
PubChem CID11265695
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1OC[C@H](n2cc(C)c(=O)[nH]c2=O)O1
InChIInChI=1S/C11H14N2O6/c1-6-3-13(11(16)12-10(6)15)8-4-18-9(19-8)5-17-7(2)14/h3,8-9H,4-5H2,1-2H3,(H,12,15,16)/t8-,9-/m1/s1
InChIKeyGLVAKIYXQBHQCC-RKDXNWHRSA-N
XLogP-0.72
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl acetate with MolForge

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Related Compounds

1-(2,2-Diethoxyethyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 712442
1H-Pyrimidine-2,4-dione, 1-(2,2-dimethoxyethyl)-5-methyl-
CID 712760
1H-Pyrimidine-2,4-dione, 1-(2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-5-methyl-
CID 3239598
Dioxolane-THYMINE
CID 451593
Dioxolane thymidine
CID 9813340
[hydroxy-[[(2R,4R)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
CID 11754362
1-(1,3-Dioxolan-4-yl)-5-methylpyrimidine-2,4-dione
CID 17809538
[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl (2S)-2-aminopropanoate;hydrochloride
CID 44581779
[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;hydrochloride
CID 44581837
[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl (2R)-2-amino-3-methylbutanoate;hydrochloride
CID 44581839
[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl pentanoate
CID 44582045
(+)-L-beta-DioxalaneT
CID 454198

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl acetate?
The IUPAC name of [(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl acetate (CID 11265695) is [(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl acetate?
The canonical SMILES for [(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl acetate is CC(=O)OC[C@@H]1OC[C@H](n2cc(C)c(=O)[nH]c2=O)O1.
What is the InChIKey of [(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl acetate?
The InChIKey is GLVAKIYXQBHQCC-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H14N2O6/c1-6-3-13(11(16)12-10(6)15)8-4-18-9(19-8)5-17-7(2)14/h3,8-9H,4-5H2,1-2H3,(H,12,15,16)/t8-,9-/m1/s1.
What are the key properties of [(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl acetate?
[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl acetate has a molecular weight of 270.24 g/mol, XLogP of -0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl acetate is sourced from PubChem (CID 11265695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).