1-[4-(oxetan-3-yloxy)pyrimidin-5-yl]piperidin-4-one

C12H15N3O3 — CID 119054421

IUPAC1-[4-(oxetan-3-yloxy)pyrimidin-5-yl]piperidin-4-one
SMILESO=C1CCN(c2cncnc2OC2COC2)CC1
InChIInChI=1S/C12H15N3O3/c16-9-1-3-15(4-2-9)11-5-13-8-14-12(11)18-10-6-17-7-10/h5,8,10H,1-4,6-7H2
InChIKeyUCARIQVEOUSPOL-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.42
Rot. Bonds3

About 1-[4-(oxetan-3-yloxy)pyrimidin-5-yl]piperidin-4-one

1-[4-(oxetan-3-yloxy)pyrimidin-5-yl]piperidin-4-one (PubChem CID 119054421) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[4-(oxetan-3-yloxy)pyrimidin-5-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[4-(oxetan-3-yloxy)pyrimidin-5-yl]piperidin-4-one
PubChem CID119054421
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-[4-(oxetan-3-yloxy)pyrimidin-5-yl]piperidin-4-one
SMILESO=C1CCN(c2cncnc2OC2COC2)CC1
InChIInChI=1S/C12H15N3O3/c16-9-1-3-15(4-2-9)11-5-13-8-14-12(11)18-10-6-17-7-10/h5,8,10H,1-4,6-7H2
InChIKeyUCARIQVEOUSPOL-UHFFFAOYSA-N
XLogP0.42
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxypyrimidin-5-yl)piperidin-4-one
CID 119054418
1-(4-propan-2-yloxypyrimidin-5-yl)piperidin-4-one
CID 119054419
1-(4-methyl-3-pyridinyl)piperidin-4-one
CID 63327430
(4-cyclopropyloxypyrimidin-5-yl)boronic acid
CID 171760230
5-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 91557117
4-chloro-5-methoxy-6-(oxetan-3-yloxy)pyrimidine
CID 102606254
N,5-dimethyl-6-(oxetan-3-yloxy)pyrimidin-4-amine
CID 102608806
5-chloro-2-(oxetan-3-yloxy)pyridine-3-carbaldehyde
CID 119054234
1-pyrazin-2-ylpiperidin-4-one
CID 14156398
5-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine
CID 154461657
5-bromo-4-cyclopentyloxypyrimidine
CID 66317989
1-quinolin-4-ylpiperidin-4-one
CID 22000285

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxetan-3-yloxy)pyrimidin-5-yl]piperidin-4-one?
The IUPAC name of 1-[4-(oxetan-3-yloxy)pyrimidin-5-yl]piperidin-4-one (CID 119054421) is 1-[4-(oxetan-3-yloxy)pyrimidin-5-yl]piperidin-4-one.
What is the SMILES notation for 1-[4-(oxetan-3-yloxy)pyrimidin-5-yl]piperidin-4-one?
The canonical SMILES for 1-[4-(oxetan-3-yloxy)pyrimidin-5-yl]piperidin-4-one is O=C1CCN(c2cncnc2OC2COC2)CC1.
What is the InChIKey of 1-[4-(oxetan-3-yloxy)pyrimidin-5-yl]piperidin-4-one?
The InChIKey is UCARIQVEOUSPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-9-1-3-15(4-2-9)11-5-13-8-14-12(11)18-10-6-17-7-10/h5,8,10H,1-4,6-7H2.
What are the key properties of 1-[4-(oxetan-3-yloxy)pyrimidin-5-yl]piperidin-4-one?
1-[4-(oxetan-3-yloxy)pyrimidin-5-yl]piperidin-4-one has a molecular weight of 249.27 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxetan-3-yloxy)pyrimidin-5-yl]piperidin-4-one is sourced from PubChem (CID 119054421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).