(2-ethoxypyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone

C15H21N3O2 — CID 171946809

IUPAC(2-ethoxypyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCCOc1ncc(C(=O)C2CC3CCC(C2)N3C)cn1
InChIInChI=1S/C15H21N3O2/c1-3-20-15-16-8-11(9-17-15)14(19)10-6-12-4-5-13(7-10)18(12)2/h8-10,12-13H,3-7H2,1-2H3
InChIKeyHKRGADAVWVCQCP-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.93
Rot. Bonds4

About (2-ethoxypyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone

(2-ethoxypyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171946809) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2-ethoxypyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(2-ethoxypyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171946809
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2-ethoxypyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCCOc1ncc(C(=O)C2CC3CCC(C2)N3C)cn1
InChIInChI=1S/C15H21N3O2/c1-3-20-15-16-8-11(9-17-15)14(19)10-6-12-4-5-13(7-10)18(12)2/h8-10,12-13H,3-7H2,1-2H3
InChIKeyHKRGADAVWVCQCP-UHFFFAOYSA-N
XLogP1.93
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxypyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (2-ethoxypyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone (CID 171946809) is (2-ethoxypyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (2-ethoxypyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (2-ethoxypyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone is CCOc1ncc(C(=O)C2CC3CCC(C2)N3C)cn1.
What is the InChIKey of (2-ethoxypyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is HKRGADAVWVCQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-20-15-16-8-11(9-17-15)14(19)10-6-12-4-5-13(7-10)18(12)2/h8-10,12-13H,3-7H2,1-2H3.
What are the key properties of (2-ethoxypyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
(2-ethoxypyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 275.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxypyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171946809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).