2-[1-[[3-(dimethylamino)pyrazin-2-yl]amino]ethyl]phenol

C14H18N4O — CID 135096176

IUPAC2-[1-[[3-(dimethylamino)pyrazin-2-yl]amino]ethyl]phenol
SMILESCC(Nc1nccnc1N(C)C)c1ccccc1O
InChIInChI=1S/C14H18N4O/c1-10(11-6-4-5-7-12(11)19)17-13-14(18(2)3)16-9-8-15-13/h4-10,19H,1-3H3,(H,15,17)
InChIKeyTUXMXLJKCFRFST-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.42
Rot. Bonds4

About 2-[1-[[3-(dimethylamino)pyrazin-2-yl]amino]ethyl]phenol

2-[1-[[3-(dimethylamino)pyrazin-2-yl]amino]ethyl]phenol (PubChem CID 135096176) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[1-[[3-(dimethylamino)pyrazin-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[[3-(dimethylamino)pyrazin-2-yl]amino]ethyl]phenol
PubChem CID135096176
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[1-[[3-(dimethylamino)pyrazin-2-yl]amino]ethyl]phenol
SMILESCC(Nc1nccnc1N(C)C)c1ccccc1O
InChIInChI=1S/C14H18N4O/c1-10(11-6-4-5-7-12(11)19)17-13-14(18(2)3)16-9-8-15-13/h4-10,19H,1-3H3,(H,15,17)
InChIKeyTUXMXLJKCFRFST-UHFFFAOYSA-N
XLogP2.42
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-N-[1-(2,6-dimethylphenyl)ethyl]-3-N,3-N-dimethylpyrazine-2,3-diamine
CID 133475803
2-[1-[[2-(dimethylamino)-3-pyridinyl]amino]ethyl]-4-methylphenol
CID 43707996
3-N-[1-(2-methoxyphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707770
3-butan-2-yl-N,N-dimethylpyridin-2-amine
CID 129162816
N,N-dimethyl-3-[(1R)-1-(methylamino)ethyl]pyridin-2-amine
CID 130631102
2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol
CID 43741167
3-N,3-N-dimethyl-2-N-(2-propan-2-yloxyethyl)pyrazine-2,3-diamine
CID 133475780
2-[1-(2,6-dibromoanilino)ethyl]phenol
CID 107597669
2-[1-(2-methylsulfanylanilino)ethyl]phenol
CID 43683498
3-(4-aminophenyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]pyrazin-2-amine
CID 126562201
2-[1-[2-[di(propan-2-yl)amino]ethylamino]ethyl]phenol
CID 43191146
bis(2-propan-2-ylphenol);zirconium(2+);dichloride
CID 174391119

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(dimethylamino)pyrazin-2-yl]amino]ethyl]phenol?
The IUPAC name of 2-[1-[[3-(dimethylamino)pyrazin-2-yl]amino]ethyl]phenol (CID 135096176) is 2-[1-[[3-(dimethylamino)pyrazin-2-yl]amino]ethyl]phenol.
What is the SMILES notation for 2-[1-[[3-(dimethylamino)pyrazin-2-yl]amino]ethyl]phenol?
The canonical SMILES for 2-[1-[[3-(dimethylamino)pyrazin-2-yl]amino]ethyl]phenol is CC(Nc1nccnc1N(C)C)c1ccccc1O.
What is the InChIKey of 2-[1-[[3-(dimethylamino)pyrazin-2-yl]amino]ethyl]phenol?
The InChIKey is TUXMXLJKCFRFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(11-6-4-5-7-12(11)19)17-13-14(18(2)3)16-9-8-15-13/h4-10,19H,1-3H3,(H,15,17).
What are the key properties of 2-[1-[[3-(dimethylamino)pyrazin-2-yl]amino]ethyl]phenol?
2-[1-[[3-(dimethylamino)pyrazin-2-yl]amino]ethyl]phenol has a molecular weight of 258.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(dimethylamino)pyrazin-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 135096176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).