3-[1-[(6-methylpyrazin-2-yl)amino]ethyl]adamantan-1-ol

C17H25N3O — CID 134698853

IUPAC3-[1-[(6-methylpyrazin-2-yl)amino]ethyl]adamantan-1-ol
SMILESCc1cncc(NC(C)C23CC4CC(CC(O)(C4)C2)C3)n1
InChIInChI=1S/C17H25N3O/c1-11-8-18-9-15(19-11)20-12(2)16-4-13-3-14(5-16)7-17(21,6-13)10-16/h8-9,12-14,21H,3-7,10H2,1-2H3,(H,19,20)
InChIKeyOPUGRPBSZVZMLZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.92
Rot. Bonds3

About 3-[1-[(6-methylpyrazin-2-yl)amino]ethyl]adamantan-1-ol

3-[1-[(6-methylpyrazin-2-yl)amino]ethyl]adamantan-1-ol (PubChem CID 134698853) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-[1-[(6-methylpyrazin-2-yl)amino]ethyl]adamantan-1-ol.

Molecular Properties

Compound Name3-[1-[(6-methylpyrazin-2-yl)amino]ethyl]adamantan-1-ol
PubChem CID134698853
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-[1-[(6-methylpyrazin-2-yl)amino]ethyl]adamantan-1-ol
SMILESCc1cncc(NC(C)C23CC4CC(CC(O)(C4)C2)C3)n1
InChIInChI=1S/C17H25N3O/c1-11-8-18-9-15(19-11)20-12(2)16-4-13-3-14(5-16)7-17(21,6-13)10-16/h8-9,12-14,21H,3-7,10H2,1-2H3,(H,19,20)
InChIKeyOPUGRPBSZVZMLZ-UHFFFAOYSA-N
XLogP2.92
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-[(6-methylpyrazin-2-yl)amino]ethyl]adamantan-1-ol with MolForge

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Related Compounds

(5S,7S)-3-[(1S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]adamantan-1-ol
CID 98329428
N-[1-(1-adamantyl)ethyl]-6-hydrazinylpyrazin-2-amine
CID 80911873
3-[1-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]adamantan-1-ol
CID 134711360
3-[1-[(3-chloro-2-pyridinyl)amino]ethyl]adamantan-1-ol
CID 134711908
N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methylpropanamide
CID 162496168
N-[(1R)-1-[(5R,7R)-3-hydroxy-1-adamantyl]ethyl]-2-methoxypyrimidine-5-carboxamide
CID 99957505
(5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol
CID 23309248
3-[1-[(4,5-dimethylfuran-2-yl)methylamino]ethyl]adamantan-1-ol
CID 131932725
3-(1-phenylethyl)adamantan-1-ol
CID 178183380
3-[1-[2,6-dinitro-4-(trifluoromethyl)anilino]ethyl]adamantan-1-ol
CID 3334462
N-[1-(1-adamantyl)ethyl]-2-methylpyrimidin-4-amine
CID 63535938
(5S,7R)-3-[(1S)-1-[[(2S)-1-(4-chlorophenyl)propan-2-yl]amino]ethyl]adamantan-1-ol
CID 29103194

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(6-methylpyrazin-2-yl)amino]ethyl]adamantan-1-ol?
The IUPAC name of 3-[1-[(6-methylpyrazin-2-yl)amino]ethyl]adamantan-1-ol (CID 134698853) is 3-[1-[(6-methylpyrazin-2-yl)amino]ethyl]adamantan-1-ol.
What is the SMILES notation for 3-[1-[(6-methylpyrazin-2-yl)amino]ethyl]adamantan-1-ol?
The canonical SMILES for 3-[1-[(6-methylpyrazin-2-yl)amino]ethyl]adamantan-1-ol is Cc1cncc(NC(C)C23CC4CC(CC(O)(C4)C2)C3)n1.
What is the InChIKey of 3-[1-[(6-methylpyrazin-2-yl)amino]ethyl]adamantan-1-ol?
The InChIKey is OPUGRPBSZVZMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-11-8-18-9-15(19-11)20-12(2)16-4-13-3-14(5-16)7-17(21,6-13)10-16/h8-9,12-14,21H,3-7,10H2,1-2H3,(H,19,20).
What are the key properties of 3-[1-[(6-methylpyrazin-2-yl)amino]ethyl]adamantan-1-ol?
3-[1-[(6-methylpyrazin-2-yl)amino]ethyl]adamantan-1-ol has a molecular weight of 287.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(6-methylpyrazin-2-yl)amino]ethyl]adamantan-1-ol is sourced from PubChem (CID 134698853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).