[2-(dimethylamino)pyrimidin-5-yl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

C14H19N3O2 — CID 171946064

IUPAC[2-(dimethylamino)pyrimidin-5-yl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCN(C)c1ncc(C(=O)C2CC3CCC(C2)O3)cn1
InChIInChI=1S/C14H19N3O2/c1-17(2)14-15-7-10(8-16-14)13(18)9-5-11-3-4-12(6-9)19-11/h7-9,11-12H,3-6H2,1-2H3
InChIKeyHJKCKSXWPBLWFI-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.68
Rot. Bonds3

About [2-(dimethylamino)pyrimidin-5-yl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

[2-(dimethylamino)pyrimidin-5-yl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171946064) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [2-(dimethylamino)pyrimidin-5-yl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name[2-(dimethylamino)pyrimidin-5-yl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171946064
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[2-(dimethylamino)pyrimidin-5-yl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCN(C)c1ncc(C(=O)C2CC3CCC(C2)O3)cn1
InChIInChI=1S/C14H19N3O2/c1-17(2)14-15-7-10(8-16-14)13(18)9-5-11-3-4-12(6-9)19-11/h7-9,11-12H,3-6H2,1-2H3
InChIKeyHJKCKSXWPBLWFI-UHFFFAOYSA-N
XLogP1.68
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)pyrimidin-5-yl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of [2-(dimethylamino)pyrimidin-5-yl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (CID 171946064) is [2-(dimethylamino)pyrimidin-5-yl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for [2-(dimethylamino)pyrimidin-5-yl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for [2-(dimethylamino)pyrimidin-5-yl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is CN(C)c1ncc(C(=O)C2CC3CCC(C2)O3)cn1.
What is the InChIKey of [2-(dimethylamino)pyrimidin-5-yl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is HJKCKSXWPBLWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17(2)14-15-7-10(8-16-14)13(18)9-5-11-3-4-12(6-9)19-11/h7-9,11-12H,3-6H2,1-2H3.
What are the key properties of [2-(dimethylamino)pyrimidin-5-yl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
[2-(dimethylamino)pyrimidin-5-yl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 261.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)pyrimidin-5-yl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171946064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).