6-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine

C10H13BrN4O — CID 116797018

IUPAC6-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
SMILESNc1cc(Br)nc(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C10H13BrN4O/c11-8-3-9(12)14-10(13-8)15-4-6-1-2-7(5-15)16-6/h3,6-7H,1-2,4-5H2,(H2,12,13,14)
InChIKeyZCPNXJSMQCXVCW-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.19
Rot. Bonds1

About 6-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine

6-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine (PubChem CID 116797018) has the molecular formula C10H13BrN4O and a molecular weight of 285.14 g/mol. Its IUPAC name is 6-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
PubChem CID116797018
Molecular FormulaC10H13BrN4O
Molecular Weight285.14 g/mol
Exact Mass284.03
IUPAC Name6-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
SMILESNc1cc(Br)nc(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C10H13BrN4O/c11-8-3-9(12)14-10(13-8)15-4-6-1-2-7(5-15)16-6/h3,6-7H,1-2,4-5H2,(H2,12,13,14)
InChIKeyZCPNXJSMQCXVCW-UHFFFAOYSA-N
XLogP1.19
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine (CID 116797018) is 6-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine is Nc1cc(Br)nc(N2CC3CCC(C2)O3)n1.
What is the InChIKey of 6-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
The InChIKey is ZCPNXJSMQCXVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O/c11-8-3-9(12)14-10(13-8)15-4-6-1-2-7(5-15)16-6/h3,6-7H,1-2,4-5H2,(H2,12,13,14).
What are the key properties of 6-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
6-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine has a molecular weight of 285.14 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 116797018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).