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

C14H19N3O3 — CID 171943912

IUPAC(2-methoxypyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCOc1ncc(C(=O)C2CC3COCC(C2)N3C)cn1
InChIInChI=1S/C14H19N3O3/c1-17-11-3-9(4-12(17)8-20-7-11)13(18)10-5-15-14(19-2)16-6-10/h5-6,9,11-12H,3-4,7-8H2,1-2H3
InChIKeyKNUKAENKRHRXQP-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.78
Rot. Bonds3

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

(2-methoxypyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171943912) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2-methoxypyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Name(2-methoxypyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171943912
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(2-methoxypyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCOc1ncc(C(=O)C2CC3COCC(C2)N3C)cn1
InChIInChI=1S/C14H19N3O3/c1-17-11-3-9(4-12(17)8-20-7-11)13(18)10-5-15-14(19-2)16-6-10/h5-6,9,11-12H,3-4,7-8H2,1-2H3
InChIKeyKNUKAENKRHRXQP-UHFFFAOYSA-N
XLogP0.78
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methoxypyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of (2-methoxypyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171943912) is (2-methoxypyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for (2-methoxypyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for (2-methoxypyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is COc1ncc(C(=O)C2CC3COCC(C2)N3C)cn1.
What is the InChIKey of (2-methoxypyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is KNUKAENKRHRXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-17-11-3-9(4-12(17)8-20-7-11)13(18)10-5-15-14(19-2)16-6-10/h5-6,9,11-12H,3-4,7-8H2,1-2H3.
What are the key properties of (2-methoxypyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
(2-methoxypyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 277.32 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxypyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171943912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).