4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one

C9H12N2O3 — CID 103985979

IUPAC4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CC2CCOC2)[nH]1
InChIInChI=1S/C9H12N2O3/c12-8-4-9(13)11-7(10-8)3-6-1-2-14-5-6/h4,6H,1-3,5H2,(H2,10,11,12,13)
InChIKeyRUJHCWCJOVYSRO-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.05
Rot. Bonds2

About 4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one

4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 103985979) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
PubChem CID103985979
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CC2CCOC2)[nH]1
InChIInChI=1S/C9H12N2O3/c12-8-4-9(13)11-7(10-8)3-6-1-2-14-5-6/h4,6H,1-3,5H2,(H2,10,11,12,13)
InChIKeyRUJHCWCJOVYSRO-UHFFFAOYSA-N
XLogP0.05
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Amino-2-(oxan-4-yl)-3,4-dihydropyrimidin-4-one
CID 136274150
2-(tetrahydro-2H-pyran-4-yl)pyrimidine-4,6-diol
CID 59198396
4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 63612931
4-hydroxy-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 63738065
4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 65331574
2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 103985970
4-hydroxy-5-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 103985980
5-ethyl-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 103985981
4-hydroxy-2-(oxolan-3-ylmethyl)-5-propyl-1H-pyrimidin-6-one
CID 103985982
4-hydroxy-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 103985983
5-bromo-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 103985986
4-hydroxy-5-iodo-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 103985987

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one (CID 103985979) is 4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one is O=c1cc(O)nc(CC2CCOC2)[nH]1.
What is the InChIKey of 4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is RUJHCWCJOVYSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-8-4-9(13)11-7(10-8)3-6-1-2-14-5-6/h4,6H,1-3,5H2,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 196.21 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 103985979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).