(3R)-N-(6-methoxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine

C14H19N5O2 — CID 52920232

IUPAC(3R)-N-(6-methoxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
SMILESCOc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1
InChIInChI=1S/C14H19N5O2/c1-20-12-6-11(16-9-17-12)18-13-15-7-14(21-13)8-19-4-2-10(14)3-5-19/h6,9-10H,2-5,7-8H2,1H3,(H,15,16,17,18)/t14-/m0/s1
InChIKeyOHUNPVCHRGBDHH-AWEZNQCLSA-N
MW289.34 g/mol
LogP0.75
Rot. Bonds2

About (3R)-N-(6-methoxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine

(3R)-N-(6-methoxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine (PubChem CID 52920232) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is (3R)-N-(6-methoxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name(3R)-N-(6-methoxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
PubChem CID52920232
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name(3R)-N-(6-methoxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
SMILESCOc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1
InChIInChI=1S/C14H19N5O2/c1-20-12-6-11(16-9-17-12)18-13-15-7-14(21-13)8-19-4-2-10(14)3-5-19/h6,9-10H,2-5,7-8H2,1H3,(H,15,16,17,18)/t14-/m0/s1
InChIKeyOHUNPVCHRGBDHH-AWEZNQCLSA-N
XLogP0.75
TPSA71.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(6-methoxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The IUPAC name of (3R)-N-(6-methoxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine (CID 52920232) is (3R)-N-(6-methoxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine.
What is the SMILES notation for (3R)-N-(6-methoxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The canonical SMILES for (3R)-N-(6-methoxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine is COc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1.
What is the InChIKey of (3R)-N-(6-methoxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The InChIKey is OHUNPVCHRGBDHH-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-20-12-6-11(16-9-17-12)18-13-15-7-14(21-13)8-19-4-2-10(14)3-5-19/h6,9-10H,2-5,7-8H2,1H3,(H,15,16,17,18)/t14-/m0/s1.
What are the key properties of (3R)-N-(6-methoxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
(3R)-N-(6-methoxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine has a molecular weight of 289.34 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(6-methoxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 52920232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).