4-(azocan-1-yl)-6-chloropyrimidin-5-amine

C11H17ClN4 — CID 62663067

IUPAC4-(azocan-1-yl)-6-chloropyrimidin-5-amine
SMILESNc1c(Cl)ncnc1N1CCCCCCC1
InChIInChI=1S/C11H17ClN4/c12-10-9(13)11(15-8-14-10)16-6-4-2-1-3-5-7-16/h8H,1-7,13H2
InChIKeyYTIUOXAJPBPBPB-UHFFFAOYSA-N
MW240.74 g/mol
LogP2.48
Rot. Bonds1

About 4-(azocan-1-yl)-6-chloropyrimidin-5-amine

4-(azocan-1-yl)-6-chloropyrimidin-5-amine (PubChem CID 62663067) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 4-(azocan-1-yl)-6-chloropyrimidin-5-amine.

Molecular Properties

Compound Name4-(azocan-1-yl)-6-chloropyrimidin-5-amine
PubChem CID62663067
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name4-(azocan-1-yl)-6-chloropyrimidin-5-amine
SMILESNc1c(Cl)ncnc1N1CCCCCCC1
InChIInChI=1S/C11H17ClN4/c12-10-9(13)11(15-8-14-10)16-6-4-2-1-3-5-7-16/h8H,1-7,13H2
InChIKeyYTIUOXAJPBPBPB-UHFFFAOYSA-N
XLogP2.48
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(azocan-1-yl)-6-chloropyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(azocan-1-yl)-6-chloropyrimidin-5-amine?
The IUPAC name of 4-(azocan-1-yl)-6-chloropyrimidin-5-amine (CID 62663067) is 4-(azocan-1-yl)-6-chloropyrimidin-5-amine.
What is the SMILES notation for 4-(azocan-1-yl)-6-chloropyrimidin-5-amine?
The canonical SMILES for 4-(azocan-1-yl)-6-chloropyrimidin-5-amine is Nc1c(Cl)ncnc1N1CCCCCCC1.
What is the InChIKey of 4-(azocan-1-yl)-6-chloropyrimidin-5-amine?
The InChIKey is YTIUOXAJPBPBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c12-10-9(13)11(15-8-14-10)16-6-4-2-1-3-5-7-16/h8H,1-7,13H2.
What are the key properties of 4-(azocan-1-yl)-6-chloropyrimidin-5-amine?
4-(azocan-1-yl)-6-chloropyrimidin-5-amine has a molecular weight of 240.74 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azocan-1-yl)-6-chloropyrimidin-5-amine is sourced from PubChem (CID 62663067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).