(1S,5R,6S)-N,N-dimethyl-3-pyrimidin-2-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide

C13H18N4O2 — CID 155562282

IUPAC(1S,5R,6S)-N,N-dimethyl-3-pyrimidin-2-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@H]2CN(c3ncccn3)C[C@@H]1O2
InChIInChI=1S/C13H18N4O2/c1-16(2)12(18)10-6-9-7-17(8-11(10)19-9)13-14-4-3-5-15-13/h3-5,9-11H,6-8H2,1-2H3/t9-,10-,11-/m0/s1
InChIKeyKFFKOKNIFPGBGQ-DCAQKATOSA-N
MW262.31 g/mol
LogP0.16
Rot. Bonds2

About (1S,5R,6S)-N,N-dimethyl-3-pyrimidin-2-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide

(1S,5R,6S)-N,N-dimethyl-3-pyrimidin-2-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide (PubChem CID 155562282) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (1S,5R,6S)-N,N-dimethyl-3-pyrimidin-2-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R,6S)-N,N-dimethyl-3-pyrimidin-2-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
PubChem CID155562282
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name(1S,5R,6S)-N,N-dimethyl-3-pyrimidin-2-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@H]2CN(c3ncccn3)C[C@@H]1O2
InChIInChI=1S/C13H18N4O2/c1-16(2)12(18)10-6-9-7-17(8-11(10)19-9)13-14-4-3-5-15-13/h3-5,9-11H,6-8H2,1-2H3/t9-,10-,11-/m0/s1
InChIKeyKFFKOKNIFPGBGQ-DCAQKATOSA-N
XLogP0.16
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,6S)-N,N-dimethyl-3-pyrimidin-2-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The IUPAC name of (1S,5R,6S)-N,N-dimethyl-3-pyrimidin-2-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide (CID 155562282) is (1S,5R,6S)-N,N-dimethyl-3-pyrimidin-2-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide.
What is the SMILES notation for (1S,5R,6S)-N,N-dimethyl-3-pyrimidin-2-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The canonical SMILES for (1S,5R,6S)-N,N-dimethyl-3-pyrimidin-2-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide is CN(C)C(=O)[C@H]1C[C@H]2CN(c3ncccn3)C[C@@H]1O2.
What is the InChIKey of (1S,5R,6S)-N,N-dimethyl-3-pyrimidin-2-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The InChIKey is KFFKOKNIFPGBGQ-DCAQKATOSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-16(2)12(18)10-6-9-7-17(8-11(10)19-9)13-14-4-3-5-15-13/h3-5,9-11H,6-8H2,1-2H3/t9-,10-,11-/m0/s1.
What are the key properties of (1S,5R,6S)-N,N-dimethyl-3-pyrimidin-2-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
(1S,5R,6S)-N,N-dimethyl-3-pyrimidin-2-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6S)-N,N-dimethyl-3-pyrimidin-2-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide is sourced from PubChem (CID 155562282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).