3-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyrimidin-4-one

C10H14N2O3 — CID 104753259

IUPAC3-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyrimidin-4-one
SMILESO=c1ccncn1CC(O)C1CCOC1
InChIInChI=1S/C10H14N2O3/c13-9(8-2-4-15-6-8)5-12-7-11-3-1-10(12)14/h1,3,7-9,13H,2,4-6H2
InChIKeyYGBBGGUDQRIHCG-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.36
Rot. Bonds3

About 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyrimidin-4-one

3-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyrimidin-4-one (PubChem CID 104753259) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyrimidin-4-one
PubChem CID104753259
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyrimidin-4-one
SMILESO=c1ccncn1CC(O)C1CCOC1
InChIInChI=1S/C10H14N2O3/c13-9(8-2-4-15-6-8)5-12-7-11-3-1-10(12)14/h1,3,7-9,13H,2,4-6H2
InChIKeyYGBBGGUDQRIHCG-UHFFFAOYSA-N
XLogP-0.36
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Pentofuranosylpyrimidin-4(3h)-one
CID 274087
3-(Oxolan-2-ylmethyl)pyrimidin-4-one
CID 115696868
3-(2-Hydroxy-3-methylpentyl)pyrimidin-4-one
CID 80449216
3-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
CID 92162699
3-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
CID 92248245
3-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
CID 92248247
3-[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
CID 92248248
3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
CID 102461643
3-[2-Hydroxy-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one
CID 104753184
3-({1-[(Oxolan-2-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126944997

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyrimidin-4-one (CID 104753259) is 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyrimidin-4-one is O=c1ccncn1CC(O)C1CCOC1.
What is the InChIKey of 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyrimidin-4-one?
The InChIKey is YGBBGGUDQRIHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-9(8-2-4-15-6-8)5-12-7-11-3-1-10(12)14/h1,3,7-9,13H,2,4-6H2.
What are the key properties of 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyrimidin-4-one?
3-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyrimidin-4-one has a molecular weight of 210.23 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 104753259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).