4-(6-chloropyrimidin-4-yl)-1,4-diazabicyclo[3.2.1]octane

C10H13ClN4 — CID 131029065

IUPAC4-(6-chloropyrimidin-4-yl)-1,4-diazabicyclo[3.2.1]octane
SMILESClc1cc(N2CCN3CCC2C3)ncn1
InChIInChI=1S/C10H13ClN4/c11-9-5-10(13-7-12-9)15-4-3-14-2-1-8(15)6-14/h5,7-8H,1-4,6H2
InChIKeyGLZHCSRNRSMQEF-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.02
Rot. Bonds1

About 4-(6-chloropyrimidin-4-yl)-1,4-diazabicyclo[3.2.1]octane

4-(6-chloropyrimidin-4-yl)-1,4-diazabicyclo[3.2.1]octane (PubChem CID 131029065) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 4-(6-chloropyrimidin-4-yl)-1,4-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name4-(6-chloropyrimidin-4-yl)-1,4-diazabicyclo[3.2.1]octane
PubChem CID131029065
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name4-(6-chloropyrimidin-4-yl)-1,4-diazabicyclo[3.2.1]octane
SMILESClc1cc(N2CCN3CCC2C3)ncn1
InChIInChI=1S/C10H13ClN4/c11-9-5-10(13-7-12-9)15-4-3-14-2-1-8(15)6-14/h5,7-8H,1-4,6H2
InChIKeyGLZHCSRNRSMQEF-UHFFFAOYSA-N
XLogP1.02
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyrimidin-4-yl)-1,4-diazabicyclo[3.2.1]octane?
The IUPAC name of 4-(6-chloropyrimidin-4-yl)-1,4-diazabicyclo[3.2.1]octane (CID 131029065) is 4-(6-chloropyrimidin-4-yl)-1,4-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 4-(6-chloropyrimidin-4-yl)-1,4-diazabicyclo[3.2.1]octane?
The canonical SMILES for 4-(6-chloropyrimidin-4-yl)-1,4-diazabicyclo[3.2.1]octane is Clc1cc(N2CCN3CCC2C3)ncn1.
What is the InChIKey of 4-(6-chloropyrimidin-4-yl)-1,4-diazabicyclo[3.2.1]octane?
The InChIKey is GLZHCSRNRSMQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c11-9-5-10(13-7-12-9)15-4-3-14-2-1-8(15)6-14/h5,7-8H,1-4,6H2.
What are the key properties of 4-(6-chloropyrimidin-4-yl)-1,4-diazabicyclo[3.2.1]octane?
4-(6-chloropyrimidin-4-yl)-1,4-diazabicyclo[3.2.1]octane has a molecular weight of 224.69 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyrimidin-4-yl)-1,4-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 131029065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).