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

C13H21ClN6 — CID 80847043

IUPAC6-chloro-4-N-methyl-2-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NC2CC3CCCC(C2)N3C)n1
InChIInChI=1S/C13H21ClN6/c1-15-12-17-11(14)18-13(19-12)16-8-6-9-4-3-5-10(7-8)20(9)2/h8-10H,3-7H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyVUGWRIWXTUMIPZ-UHFFFAOYSA-N
MW296.81 g/mol
LogP1.99
Rot. Bonds3

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

6-chloro-4-N-methyl-2-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80847043) has the molecular formula C13H21ClN6 and a molecular weight of 296.81 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-2-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-2-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80847043
Molecular FormulaC13H21ClN6
Molecular Weight296.81 g/mol
Exact Mass296.15
IUPAC Name6-chloro-4-N-methyl-2-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NC2CC3CCCC(C2)N3C)n1
InChIInChI=1S/C13H21ClN6/c1-15-12-17-11(14)18-13(19-12)16-8-6-9-4-3-5-10(7-8)20(9)2/h8-10H,3-7H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyVUGWRIWXTUMIPZ-UHFFFAOYSA-N
XLogP1.99
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.81
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
N-(4,6-dichloropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 155715390
6-chloro-4-N-methyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
CID 114541947
N-(2-chloropyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472809
N-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112703192
6-N,2,5-trimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrimidine-4,6-diamine
CID 80828303
6-chloro-2-N-(1-ethylpiperidin-3-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80801238
4,6-dichloro-N-cyclobutyl-1,3,5-triazin-2-amine
CID 62868732
3-N-methyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3,5-diamine
CID 104535034
6-N-methyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80828694
N-(4-methoxypyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112695271
5-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
CID 80834056

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-2-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 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) is 6-chloro-4-N-methyl-2-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-4-N-methyl-2-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-2-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(NC2CC3CCCC(C2)N3C)n1.
What is the InChIKey of 6-chloro-4-N-methyl-2-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VUGWRIWXTUMIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN6/c1-15-12-17-11(14)18-13(19-12)16-8-6-9-4-3-5-10(7-8)20(9)2/h8-10H,3-7H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 6-chloro-4-N-methyl-2-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-methyl-2-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 296.81 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-2-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80847043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).