6-chloro-2-N,2-N-dimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine

C14H23ClN6 — CID 65472615

IUPAC6-chloro-2-N,2-N-dimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(NC2CC3CCCC(C2)N3C)n1
InChIInChI=1S/C14H23ClN6/c1-20(2)14-18-12(15)17-13(19-14)16-9-7-10-5-4-6-11(8-9)21(10)3/h9-11H,4-8H2,1-3H3,(H,16,17,18,19)
InChIKeyOOKPPTDSVCBVQK-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.02
Rot. Bonds3

About 6-chloro-2-N,2-N-dimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-dimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 65472615) has the molecular formula C14H23ClN6 and a molecular weight of 310.83 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-dimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-dimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID65472615
Molecular FormulaC14H23ClN6
Molecular Weight310.83 g/mol
Exact Mass310.17
IUPAC Name6-chloro-2-N,2-N-dimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(NC2CC3CCCC(C2)N3C)n1
InChIInChI=1S/C14H23ClN6/c1-20(2)14-18-12(15)17-13(19-14)16-9-7-10-5-4-6-11(8-9)21(10)3/h9-11H,4-8H2,1-3H3,(H,16,17,18,19)
InChIKeyOOKPPTDSVCBVQK-UHFFFAOYSA-N
XLogP2.02
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-N,2-N-dimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-4-N-methyl-2-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine
CID 80847043
N-(4,6-dichloropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 155715390
6-chloro-4-N-(1,1-dioxothian-4-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62862839
N-(2-chloropyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472809
6-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 64920679
N-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112703192
4,6-dichloro-N-cyclobutyl-1,3,5-triazin-2-amine
CID 62868732
6-chloro-4-N-(cyclohexylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62864547
6-chloro-2-N,2-N-dimethyl-4-N-(2-piperidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 62862949
N-(4-methoxypyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112695271
6-chloro-2-N,2-N-dimethyl-4-N-[(2-methylcyclohexyl)methyl]-1,3,5-triazine-2,4-diamine
CID 62862573
4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine
CID 22254066

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine (CID 65472615) is 6-chloro-2-N,2-N-dimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-dimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-dimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine is CN(C)c1nc(Cl)nc(NC2CC3CCCC(C2)N3C)n1.
What is the InChIKey of 6-chloro-2-N,2-N-dimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is OOKPPTDSVCBVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN6/c1-20(2)14-18-12(15)17-13(19-14)16-9-7-10-5-4-6-11(8-9)21(10)3/h9-11H,4-8H2,1-3H3,(H,16,17,18,19).
What are the key properties of 6-chloro-2-N,2-N-dimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-dimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 310.83 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-dimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 65472615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).