1-(oxan-4-yl)-2-pyrimidin-2-ylethanone

C11H14N2O2 — CID 116833106

IUPAC1-(oxan-4-yl)-2-pyrimidin-2-ylethanone
SMILESO=C(Cc1ncccn1)C1CCOCC1
InChIInChI=1S/C11H14N2O2/c14-10(9-2-6-15-7-3-9)8-11-12-4-1-5-13-11/h1,4-5,9H,2-3,6-8H2
InChIKeyHLMJNDNARHHYPE-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.01
Rot. Bonds3

About 1-(oxan-4-yl)-2-pyrimidin-2-ylethanone

1-(oxan-4-yl)-2-pyrimidin-2-ylethanone (PubChem CID 116833106) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-(oxan-4-yl)-2-pyrimidin-2-ylethanone.

Molecular Properties

Compound Name1-(oxan-4-yl)-2-pyrimidin-2-ylethanone
PubChem CID116833106
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1-(oxan-4-yl)-2-pyrimidin-2-ylethanone
SMILESO=C(Cc1ncccn1)C1CCOCC1
InChIInChI=1S/C11H14N2O2/c14-10(9-2-6-15-7-3-9)8-11-12-4-1-5-13-11/h1,4-5,9H,2-3,6-8H2
InChIKeyHLMJNDNARHHYPE-UHFFFAOYSA-N
XLogP1.01
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-2-pyrimidin-2-ylethanone?
The IUPAC name of 1-(oxan-4-yl)-2-pyrimidin-2-ylethanone (CID 116833106) is 1-(oxan-4-yl)-2-pyrimidin-2-ylethanone.
What is the SMILES notation for 1-(oxan-4-yl)-2-pyrimidin-2-ylethanone?
The canonical SMILES for 1-(oxan-4-yl)-2-pyrimidin-2-ylethanone is O=C(Cc1ncccn1)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-2-pyrimidin-2-ylethanone?
The InChIKey is HLMJNDNARHHYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-10(9-2-6-15-7-3-9)8-11-12-4-1-5-13-11/h1,4-5,9H,2-3,6-8H2.
What are the key properties of 1-(oxan-4-yl)-2-pyrimidin-2-ylethanone?
1-(oxan-4-yl)-2-pyrimidin-2-ylethanone has a molecular weight of 206.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-2-pyrimidin-2-ylethanone is sourced from PubChem (CID 116833106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).