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

C10H13ClN4O — CID 106812177

IUPAC5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
SMILESNc1ncnc(N2CC3CCC(C2)O3)c1Cl
InChIInChI=1S/C10H13ClN4O/c11-8-9(12)13-5-14-10(8)15-3-6-1-2-7(4-15)16-6/h5-7H,1-4H2,(H2,12,13,14)
InChIKeyKQTQMKVHLUHLIE-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.08
Rot. Bonds1

About 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine

5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine (PubChem CID 106812177) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
PubChem CID106812177
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
SMILESNc1ncnc(N2CC3CCC(C2)O3)c1Cl
InChIInChI=1S/C10H13ClN4O/c11-8-9(12)13-5-14-10(8)15-3-6-1-2-7(4-15)16-6/h5-7H,1-4H2,(H2,12,13,14)
InChIKeyKQTQMKVHLUHLIE-UHFFFAOYSA-N
XLogP1.08
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine (CID 106812177) is 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine is Nc1ncnc(N2CC3CCC(C2)O3)c1Cl.
What is the InChIKey of 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
The InChIKey is KQTQMKVHLUHLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c11-8-9(12)13-5-14-10(8)15-3-6-1-2-7(4-15)16-6/h5-7H,1-4H2,(H2,12,13,14).
What are the key properties of 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine has a molecular weight of 240.69 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 106812177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).