8-pyrimidin-4-yl-3-oxa-8-azabicyclo[3.2.1]octane

C10H13N3O — CID 67608519

IUPAC8-pyrimidin-4-yl-3-oxa-8-azabicyclo[3.2.1]octane
SMILESc1cc(N2C3CCC2COC3)ncn1
InChIInChI=1S/C10H13N3O/c1-2-9-6-14-5-8(1)13(9)10-3-4-11-7-12-10/h3-4,7-9H,1-2,5-6H2
InChIKeyCCOCIGXQTCAWHV-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.84
Rot. Bonds1

About 8-pyrimidin-4-yl-3-oxa-8-azabicyclo[3.2.1]octane

8-pyrimidin-4-yl-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 67608519) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 8-pyrimidin-4-yl-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-pyrimidin-4-yl-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID67608519
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name8-pyrimidin-4-yl-3-oxa-8-azabicyclo[3.2.1]octane
SMILESc1cc(N2C3CCC2COC3)ncn1
InChIInChI=1S/C10H13N3O/c1-2-9-6-14-5-8(1)13(9)10-3-4-11-7-12-10/h3-4,7-9H,1-2,5-6H2
InChIKeyCCOCIGXQTCAWHV-UHFFFAOYSA-N
XLogP0.84
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-pyrimidin-4-yl-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-pyrimidin-4-yl-3-oxa-8-azabicyclo[3.2.1]octane (CID 67608519) is 8-pyrimidin-4-yl-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-pyrimidin-4-yl-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-pyrimidin-4-yl-3-oxa-8-azabicyclo[3.2.1]octane is c1cc(N2C3CCC2COC3)ncn1.
What is the InChIKey of 8-pyrimidin-4-yl-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is CCOCIGXQTCAWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-9-6-14-5-8(1)13(9)10-3-4-11-7-12-10/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 8-pyrimidin-4-yl-3-oxa-8-azabicyclo[3.2.1]octane?
8-pyrimidin-4-yl-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 191.23 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyrimidin-4-yl-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 67608519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).