4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine

C13H20ClN5 — CID 62863425

IUPAC4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(N2CC3CCC2C3)n1
InChIInChI=1S/C13H20ClN5/c1-3-18(4-2)12-15-11(14)16-13(17-12)19-8-9-5-6-10(19)7-9/h9-10H,3-8H2,1-2H3
InChIKeyYGQKWMJRINREKO-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.36
Rot. Bonds4

About 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine

4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine (PubChem CID 62863425) has the molecular formula C13H20ClN5 and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine
PubChem CID62863425
Molecular FormulaC13H20ClN5
Molecular Weight281.79 g/mol
Exact Mass281.14
IUPAC Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(N2CC3CCC2C3)n1
InChIInChI=1S/C13H20ClN5/c1-3-18(4-2)12-15-11(14)16-13(17-12)19-8-9-5-6-10(19)7-9/h9-10H,3-8H2,1-2H3
InChIKeyYGQKWMJRINREKO-UHFFFAOYSA-N
XLogP2.36
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine (CID 62863425) is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(N2CC3CCC2C3)n1.
What is the InChIKey of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine?
The InChIKey is YGQKWMJRINREKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5/c1-3-18(4-2)12-15-11(14)16-13(17-12)19-8-9-5-6-10(19)7-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine?
4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine has a molecular weight of 281.79 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).