1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol

C10H16N2O5 — CID 178082525

IUPAC1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
SMILESCO.O=c1ccn(C2CC[C@@H](CO)O2)c(=O)[nH]1
InChIInChI=1S/C9H12N2O4.CH4O/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14;1-2/h3-4,6,8,12H,1-2,5H2,(H,10,13,14);2H,1H3/t6-,8?;/m0./s1
InChIKeyGRKLOJQGEBLFQK-IHEARLNSSA-N
MW244.25 g/mol
LogP-1.18
Rot. Bonds2

About 1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol

1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol (PubChem CID 178082525) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol.

Molecular Properties

Compound Name1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
PubChem CID178082525
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
SMILESCO.O=c1ccn(C2CC[C@@H](CO)O2)c(=O)[nH]1
InChIInChI=1S/C9H12N2O4.CH4O/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14;1-2/h3-4,6,8,12H,1-2,5H2,(H,10,13,14);2H,1H3/t6-,8?;/m0./s1
InChIKeyGRKLOJQGEBLFQK-IHEARLNSSA-N
XLogP-1.18
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;propane-2,2-diol
CID 163227427
1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082493
1-[(2R,5S)-5-(chloromethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 23261037
methanol;1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 145071309
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70261386
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350
1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 170586971
1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 144767264
1-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
CID 582840
2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetaldehyde;methoxymethane
CID 178082508
5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol
CID 169252397
1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70849208

Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol?
The IUPAC name of 1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol (CID 178082525) is 1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol.
What is the SMILES notation for 1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol?
The canonical SMILES for 1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol is CO.O=c1ccn(C2CC[C@@H](CO)O2)c(=O)[nH]1.
What is the InChIKey of 1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol?
The InChIKey is GRKLOJQGEBLFQK-IHEARLNSSA-N. The full InChI is InChI=1S/C9H12N2O4.CH4O/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14;1-2/h3-4,6,8,12H,1-2,5H2,(H,10,13,14);2H,1H3/t6-,8?;/m0./s1.
What are the key properties of 1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol?
1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol has a molecular weight of 244.25 g/mol, XLogP of -1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol is sourced from PubChem (CID 178082525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).