4-(oxolan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one

C11H16N2O3 — CID 103241695

IUPAC4-(oxolan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OC2CCOC2)cc(=O)[nH]1
InChIInChI=1S/C11H16N2O3/c1-7(2)11-12-9(14)5-10(13-11)16-8-3-4-15-6-8/h5,7-8H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyMHCWLBQDWJCBFG-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.06
Rot. Bonds3

About 4-(oxolan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one

4-(oxolan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 103241695) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(oxolan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(oxolan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID103241695
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-(oxolan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OC2CCOC2)cc(=O)[nH]1
InChIInChI=1S/C11H16N2O3/c1-7(2)11-12-9(14)5-10(13-11)16-8-3-4-15-6-8/h5,7-8H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyMHCWLBQDWJCBFG-UHFFFAOYSA-N
XLogP1.06
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(oxolan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one (CID 103241695) is 4-(oxolan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(oxolan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(oxolan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(OC2CCOC2)cc(=O)[nH]1.
What is the InChIKey of 4-(oxolan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MHCWLBQDWJCBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(2)11-12-9(14)5-10(13-11)16-8-3-4-15-6-8/h5,7-8H,3-4,6H2,1-2H3,(H,12,13,14).
What are the key properties of 4-(oxolan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(oxolan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).