4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one

C10H14N2O3 — CID 103241621

IUPAC4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCC2CCOCC2)nc[nH]1
InChIInChI=1S/C10H14N2O3/c13-9-5-10(12-7-11-9)15-6-8-1-3-14-4-2-8/h5,7-8H,1-4,6H2,(H,11,12,13)
InChIKeyZTFCTGFVUCZCRW-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.58
Rot. Bonds3

About 4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one

4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one (PubChem CID 103241621) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one
PubChem CID103241621
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCC2CCOCC2)nc[nH]1
InChIInChI=1S/C10H14N2O3/c13-9-5-10(12-7-11-9)15-6-8-1-3-14-4-2-8/h5,7-8H,1-4,6H2,(H,11,12,13)
InChIKeyZTFCTGFVUCZCRW-UHFFFAOYSA-N
XLogP0.58
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one (CID 103241621) is 4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one is O=c1cc(OCC2CCOCC2)nc[nH]1.
What is the InChIKey of 4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is ZTFCTGFVUCZCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-9-5-10(12-7-11-9)15-6-8-1-3-14-4-2-8/h5,7-8H,1-4,6H2,(H,11,12,13).
What are the key properties of 4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one?
4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one has a molecular weight of 210.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).