1-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione

C11H16N2O4 — CID 145071280

IUPAC1-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
SMILESCOC[C@@H]1C[C@H](C)[C@H](n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C11H16N2O4/c1-7-5-8(6-16-2)17-10(7)13-4-3-9(14)12-11(13)15/h3-4,7-8,10H,5-6H2,1-2H3,(H,12,14,15)/t7-,8-,10+/m0/s1
InChIKeyABBJAMFJPCNXBK-OYNCUSHFSA-N
MW240.26 g/mol
LogP0.11
Rot. Bonds3

About 1-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 145071280) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
PubChem CID145071280
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name1-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
SMILESCOC[C@@H]1C[C@H](C)[C@H](n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C11H16N2O4/c1-7-5-8(6-16-2)17-10(7)13-4-3-9(14)12-11(13)15/h3-4,7-8,10H,5-6H2,1-2H3,(H,12,14,15)/t7-,8-,10+/m0/s1
InChIKeyABBJAMFJPCNXBK-OYNCUSHFSA-N
XLogP0.11
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy thiohypoiodite;ethane;methane
CID 144654228
ethane;1-[(3S,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 144654171
[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methyl 2-methyloxolane-2-carboxylate
CID 172580557
1-[3-fluoro-5-(methylperoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 144766802
methanol;1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 145071309
1-[(2S,5S)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57303965
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 68666642
1-[5-(dihydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 145078336
1-[(2R,3R,5S)-5-ethyl-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 135134474
1-[4,5-bis(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 123691114
1-[3-chloro-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 123500574
[(1R)-1-(1,3-dioxolan-2-yl)propyl] [(2S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methyl phenyl phosphate
CID 142622656

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione (CID 145071280) is 1-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione is COC[C@@H]1C[C@H](C)[C@H](n2ccc(=O)[nH]c2=O)O1.
What is the InChIKey of 1-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is ABBJAMFJPCNXBK-OYNCUSHFSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7-5-8(6-16-2)17-10(7)13-4-3-9(14)12-11(13)15/h3-4,7-8,10H,5-6H2,1-2H3,(H,12,14,15)/t7-,8-,10+/m0/s1.
What are the key properties of 1-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 240.26 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 145071280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).