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

C15H22N4O2 — CID 171946078

IUPAC[2-(dimethylamino)pyrimidin-5-yl]-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCN(C)c1ncc(C(=O)C2CC3COCC(C2)N3C)cn1
InChIInChI=1S/C15H22N4O2/c1-18(2)15-16-6-11(7-17-15)14(20)10-4-12-8-21-9-13(5-10)19(12)3/h6-7,10,12-13H,4-5,8-9H2,1-3H3
InChIKeyYRVZLUUQEXVZGQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.83
Rot. Bonds3

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

[2-(dimethylamino)pyrimidin-5-yl]-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171946078) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [2-(dimethylamino)pyrimidin-5-yl]-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Name[2-(dimethylamino)pyrimidin-5-yl]-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171946078
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name[2-(dimethylamino)pyrimidin-5-yl]-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCN(C)c1ncc(C(=O)C2CC3COCC(C2)N3C)cn1
InChIInChI=1S/C15H22N4O2/c1-18(2)15-16-6-11(7-17-15)14(20)10-4-12-8-21-9-13(5-10)19(12)3/h6-7,10,12-13H,4-5,8-9H2,1-3H3
InChIKeyYRVZLUUQEXVZGQ-UHFFFAOYSA-N
XLogP0.83
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)pyrimidin-5-yl]-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of [2-(dimethylamino)pyrimidin-5-yl]-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171946078) is [2-(dimethylamino)pyrimidin-5-yl]-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for [2-(dimethylamino)pyrimidin-5-yl]-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for [2-(dimethylamino)pyrimidin-5-yl]-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is CN(C)c1ncc(C(=O)C2CC3COCC(C2)N3C)cn1.
What is the InChIKey of [2-(dimethylamino)pyrimidin-5-yl]-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is YRVZLUUQEXVZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-18(2)15-16-6-11(7-17-15)14(20)10-4-12-8-21-9-13(5-10)19(12)3/h6-7,10,12-13H,4-5,8-9H2,1-3H3.
What are the key properties of [2-(dimethylamino)pyrimidin-5-yl]-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
[2-(dimethylamino)pyrimidin-5-yl]-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 290.37 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)pyrimidin-5-yl]-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171946078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).