1-[5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C10H14N2O5 — CID 19775087

IUPAC1-[5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn(C2CCC(CO)(CO)O2)c(=O)[nH]1
InChIInChI=1S/C10H14N2O5/c13-5-10(6-14)3-1-8(17-10)12-4-2-7(15)11-9(12)16/h2,4,8,13-14H,1,3,5-6H2,(H,11,15,16)
InChIKeyREWICJGMTIHFIL-UHFFFAOYSA-N
MW242.23 g/mol
LogP-1.43
Rot. Bonds3

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

1-[5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 19775087) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 1-[5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID19775087
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name1-[5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn(C2CCC(CO)(CO)O2)c(=O)[nH]1
InChIInChI=1S/C10H14N2O5/c13-5-10(6-14)3-1-8(17-10)12-4-2-7(15)11-9(12)16/h2,4,8,13-14H,1,3,5-6H2,(H,11,15,16)
InChIKeyREWICJGMTIHFIL-UHFFFAOYSA-N
XLogP-1.43
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5R)-5-cyclopropyl-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 154937522
(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-2-carbonitrile
CID 54125745
1-[(2S,6S,8S)-8-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-2-yl]pyrimidine-2,4-dione
CID 25269719
1-[(2R)-5,5-bis(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
CID 174147547
1-[(2R,3S,5S)-5-(fluoromethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 170217992
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 510970
1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10105161
1-[(1S,3R)-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione
CID 67875653
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350
[(2S,5S)-2-cyano-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 67875666
1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082493
1-[(2R,4S)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70294441

Frequently Asked Questions

What is the IUPAC name of 1-[5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 19775087) is 1-[5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is O=c1ccn(C2CCC(CO)(CO)O2)c(=O)[nH]1.
What is the InChIKey of 1-[5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is REWICJGMTIHFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c13-5-10(6-14)3-1-8(17-10)12-4-2-7(15)11-9(12)16/h2,4,8,13-14H,1,3,5-6H2,(H,11,15,16).
What are the key properties of 1-[5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
1-[5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 242.23 g/mol, XLogP of -1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 19775087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).