4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine

C13H22ClN5O — CID 139072887

IUPAC4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NC2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C13H22ClN5O/c1-12(2)6-8(7-13(3,4)19-12)15-10-16-9(14)17-11(18-10)20-5/h8,19H,6-7H2,1-5H3,(H,15,16,17,18)
InChIKeyZQKVASDBJKJCTC-UHFFFAOYSA-N
MW299.81 g/mol
LogP2.25
Rot. Bonds3

About 4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine

4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine (PubChem CID 139072887) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
PubChem CID139072887
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NC2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C13H22ClN5O/c1-12(2)6-8(7-13(3,4)19-12)15-10-16-9(14)17-11(18-10)20-5/h8,19H,6-7H2,1-5H3,(H,15,16,17,18)
InChIKeyZQKVASDBJKJCTC-UHFFFAOYSA-N
XLogP2.25
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-chloro-6-methoxy-N-(2-methylpiperidin-4-yl)-1,3,5-triazin-2-amine
CID 106996266
4-chloro-5,6-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 82461001
4-chloro-N-(2,2-dimethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine
CID 79871701
4-chloro-N-(3-ethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine
CID 64743928
2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 15066137
3-[[4-chloro-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CID 147109405
2-chloro-6-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 82460532
N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62859800
N-cyclohexyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 15184090
2-N-[2-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 23464884
6-chloro-2-N,4-N-bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 88764566
4-chloro-N-(2,2-dimethyloxan-4-yl)-6-ethoxy-1,3,5-triazin-2-amine
CID 83028910

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine (CID 139072887) is 4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine is COc1nc(Cl)nc(NC2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of 4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is ZQKVASDBJKJCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-12(2)6-8(7-13(3,4)19-12)15-10-16-9(14)17-11(18-10)20-5/h8,19H,6-7H2,1-5H3,(H,15,16,17,18).
What are the key properties of 4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 299.81 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 139072887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).