(2-methoxypyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

C13H17N3O3 — CID 171943911

IUPAC(2-methoxypyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCOc1ncc(C(=O)C2CC3COCC(C2)N3)cn1
InChIInChI=1S/C13H17N3O3/c1-18-13-14-4-9(5-15-13)12(17)8-2-10-6-19-7-11(3-8)16-10/h4-5,8,10-11,16H,2-3,6-7H2,1H3
InChIKeySDTBXEYJLGUBBQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.43
Rot. Bonds3

About (2-methoxypyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

(2-methoxypyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171943911) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is (2-methoxypyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Name(2-methoxypyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171943911
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name(2-methoxypyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCOc1ncc(C(=O)C2CC3COCC(C2)N3)cn1
InChIInChI=1S/C13H17N3O3/c1-18-13-14-4-9(5-15-13)12(17)8-2-10-6-19-7-11(3-8)16-10/h4-5,8,10-11,16H,2-3,6-7H2,1H3
InChIKeySDTBXEYJLGUBBQ-UHFFFAOYSA-N
XLogP0.43
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methoxypyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of (2-methoxypyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171943911) is (2-methoxypyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for (2-methoxypyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for (2-methoxypyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is COc1ncc(C(=O)C2CC3COCC(C2)N3)cn1.
What is the InChIKey of (2-methoxypyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is SDTBXEYJLGUBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-18-13-14-4-9(5-15-13)12(17)8-2-10-6-19-7-11(3-8)16-10/h4-5,8,10-11,16H,2-3,6-7H2,1H3.
What are the key properties of (2-methoxypyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
(2-methoxypyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 263.30 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxypyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171943911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).