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

C11H16ClN5 — CID 62863080

IUPAC4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(N2CC3CCC2C3)n1
InChIInChI=1S/C11H16ClN5/c1-16(2)10-13-9(12)14-11(15-10)17-6-7-3-4-8(17)5-7/h7-8H,3-6H2,1-2H3
InChIKeyJDXSRTMWUYIFGW-UHFFFAOYSA-N
MW253.74 g/mol
LogP1.58
Rot. Bonds2

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

4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 62863080) has the molecular formula C11H16ClN5 and a molecular weight of 253.74 g/mol. Its IUPAC name is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID62863080
Molecular FormulaC11H16ClN5
Molecular Weight253.74 g/mol
Exact Mass253.11
IUPAC Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(N2CC3CCC2C3)n1
InChIInChI=1S/C11H16ClN5/c1-16(2)10-13-9(12)14-11(15-10)17-6-7-3-4-8(17)5-7/h7-8H,3-6H2,1-2H3
InChIKeyJDXSRTMWUYIFGW-UHFFFAOYSA-N
XLogP1.58
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.74
LogP ≤ 51.58
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-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine (CID 62863080) is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-dimethyl-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-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(N2CC3CCC2C3)n1.
What is the InChIKey of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is JDXSRTMWUYIFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5/c1-16(2)10-13-9(12)14-11(15-10)17-6-7-3-4-8(17)5-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 253.74 g/mol, XLogP of 1.58, 2 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-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).