1-[5-(dihydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione

C10H14N2O5 — CID 145078336

IUPAC1-[5-(dihydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
SMILESCC1CC(C(O)O)OC1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O5/c1-5-4-6(9(14)15)17-8(5)12-3-2-7(13)11-10(12)16/h2-3,5-6,8-9,14-15H,4H2,1H3,(H,11,13,16)
InChIKeyWJMCYBUZUAGLTE-UHFFFAOYSA-N
MW242.23 g/mol
LogP-1.23
Rot. Bonds2

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

1-[5-(dihydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 145078336) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 1-[5-(dihydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[5-(dihydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
PubChem CID145078336
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name1-[5-(dihydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
SMILESCC1CC(C(O)O)OC1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O5/c1-5-4-6(9(14)15)17-8(5)12-3-2-7(13)11-10(12)16/h2-3,5-6,8-9,14-15H,4H2,1H3,(H,11,13,16)
InChIKeyWJMCYBUZUAGLTE-UHFFFAOYSA-N
XLogP-1.23
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethane;1-[(3S,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 144654171
1-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 145071280
1-[(2R,3S,5S)-5-[(1S)-1-hydroxyethyl]-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 174080126
1-[(2S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 57120564
1-[(2R,3R,4S,5S)-3-hydroxy-5-(1-hydroxyethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70848340
[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy thiohypoiodite;ethane;methane
CID 144654228
1-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70953347
propan-2-yl 2-[[[(1S)-1-[(4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy]-phenoxyphosphanyl]amino]acetate
CID 134425292
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 59504113
1-[(2R,3R,5S)-5-ethyl-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 135134474
(2S)-2-amino-2-[(2S,4R,5R,6R)-6-(2,4-dioxopyrimidin-1-yl)-4,5-dihydroxyoxan-2-yl]acetic acid
CID 11301064
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 57259416

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dihydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[5-(dihydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione (CID 145078336) is 1-[5-(dihydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[5-(dihydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[5-(dihydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione is CC1CC(C(O)O)OC1n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[5-(dihydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is WJMCYBUZUAGLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-5-4-6(9(14)15)17-8(5)12-3-2-7(13)11-10(12)16/h2-3,5-6,8-9,14-15H,4H2,1H3,(H,11,13,16).
What are the key properties of 1-[5-(dihydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?
1-[5-(dihydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 242.23 g/mol, XLogP of -1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dihydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 145078336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).