6-N-(1-adamantyl)-3,5-dichloropyridine-2,6-diamine

C15H19Cl2N3 — CID 102754866

IUPAC6-N-(1-adamantyl)-3,5-dichloropyridine-2,6-diamine
SMILESNc1nc(NC23CC4CC(CC(C4)C2)C3)c(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3/c16-11-4-12(17)14(19-13(11)18)20-15-5-8-1-9(6-15)3-10(2-8)7-15/h4,8-10H,1-3,5-7H2,(H3,18,19,20)
InChIKeyLJOPTZRVPNTOHX-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.35
Rot. Bonds2

About 6-N-(1-adamantyl)-3,5-dichloropyridine-2,6-diamine

6-N-(1-adamantyl)-3,5-dichloropyridine-2,6-diamine (PubChem CID 102754866) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is 6-N-(1-adamantyl)-3,5-dichloropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1-adamantyl)-3,5-dichloropyridine-2,6-diamine
PubChem CID102754866
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC Name6-N-(1-adamantyl)-3,5-dichloropyridine-2,6-diamine
SMILESNc1nc(NC23CC4CC(CC(C4)C2)C3)c(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3/c16-11-4-12(17)14(19-13(11)18)20-15-5-8-1-9(6-15)3-10(2-8)7-15/h4,8-10H,1-3,5-7H2,(H3,18,19,20)
InChIKeyLJOPTZRVPNTOHX-UHFFFAOYSA-N
XLogP4.35
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-6-N-(1-methylcyclopropyl)pyridine-2,6-diamine
CID 102759897
3,5-dichloro-6-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,6-diamine
CID 102759574
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516
4-N-(1-adamantyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80768385
4-N-(1-adamantyl)pyrimidine-2,4,6-triamine
CID 80767917
N-(1-adamantyl)-6-chloro-2,5-dimethylpyrimidin-4-amine
CID 63734066
3-N-(1-adamantyl)-1-methylpyrazole-3,4-diamine
CID 103077905
N-(1-adamantyl)-4-chloro-1,3-thiazol-2-amine
CID 83152924
4-N-(1-adamantyl)-6-N-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19143547
[2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 102758815
2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 102758635
3,5-dichloro-6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine
CID 102759502

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-adamantyl)-3,5-dichloropyridine-2,6-diamine?
The IUPAC name of 6-N-(1-adamantyl)-3,5-dichloropyridine-2,6-diamine (CID 102754866) is 6-N-(1-adamantyl)-3,5-dichloropyridine-2,6-diamine.
What is the SMILES notation for 6-N-(1-adamantyl)-3,5-dichloropyridine-2,6-diamine?
The canonical SMILES for 6-N-(1-adamantyl)-3,5-dichloropyridine-2,6-diamine is Nc1nc(NC23CC4CC(CC(C4)C2)C3)c(Cl)cc1Cl.
What is the InChIKey of 6-N-(1-adamantyl)-3,5-dichloropyridine-2,6-diamine?
The InChIKey is LJOPTZRVPNTOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c16-11-4-12(17)14(19-13(11)18)20-15-5-8-1-9(6-15)3-10(2-8)7-15/h4,8-10H,1-3,5-7H2,(H3,18,19,20).
What are the key properties of 6-N-(1-adamantyl)-3,5-dichloropyridine-2,6-diamine?
6-N-(1-adamantyl)-3,5-dichloropyridine-2,6-diamine has a molecular weight of 312.24 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-adamantyl)-3,5-dichloropyridine-2,6-diamine is sourced from PubChem (CID 102754866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).