6-(5-chloropyrimidin-2-yl)-3-azabicyclo[4.1.0]heptane

C10H12ClN3 — CID 170565082

IUPAC6-(5-chloropyrimidin-2-yl)-3-azabicyclo[4.1.0]heptane
SMILESClc1cnc(C23CCNCC2C3)nc1
InChIInChI=1S/C10H12ClN3/c11-8-5-13-9(14-6-8)10-1-2-12-4-7(10)3-10/h5-7,12H,1-4H2
InChIKeyBNSLCKKEBSHQAV-UHFFFAOYSA-N
MW209.68 g/mol
LogP1.38
Rot. Bonds1

About 6-(5-chloropyrimidin-2-yl)-3-azabicyclo[4.1.0]heptane

6-(5-chloropyrimidin-2-yl)-3-azabicyclo[4.1.0]heptane (PubChem CID 170565082) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 6-(5-chloropyrimidin-2-yl)-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name6-(5-chloropyrimidin-2-yl)-3-azabicyclo[4.1.0]heptane
PubChem CID170565082
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name6-(5-chloropyrimidin-2-yl)-3-azabicyclo[4.1.0]heptane
SMILESClc1cnc(C23CCNCC2C3)nc1
InChIInChI=1S/C10H12ClN3/c11-8-5-13-9(14-6-8)10-1-2-12-4-7(10)3-10/h5-7,12H,1-4H2
InChIKeyBNSLCKKEBSHQAV-UHFFFAOYSA-N
XLogP1.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloropyrimidin-2-yl)-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 6-(5-chloropyrimidin-2-yl)-3-azabicyclo[4.1.0]heptane (CID 170565082) is 6-(5-chloropyrimidin-2-yl)-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 6-(5-chloropyrimidin-2-yl)-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 6-(5-chloropyrimidin-2-yl)-3-azabicyclo[4.1.0]heptane is Clc1cnc(C23CCNCC2C3)nc1.
What is the InChIKey of 6-(5-chloropyrimidin-2-yl)-3-azabicyclo[4.1.0]heptane?
The InChIKey is BNSLCKKEBSHQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c11-8-5-13-9(14-6-8)10-1-2-12-4-7(10)3-10/h5-7,12H,1-4H2.
What are the key properties of 6-(5-chloropyrimidin-2-yl)-3-azabicyclo[4.1.0]heptane?
6-(5-chloropyrimidin-2-yl)-3-azabicyclo[4.1.0]heptane has a molecular weight of 209.68 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloropyrimidin-2-yl)-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 170565082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).