4-[6-[2-(dimethylamino)phenyl]pyrazin-2-yl]phenol

C18H17N3O — CID 137154162

IUPAC4-[6-[2-(dimethylamino)phenyl]pyrazin-2-yl]phenol
SMILESCN(C)c1ccccc1-c1cncc(-c2ccc(O)cc2)n1
InChIInChI=1S/C18H17N3O/c1-21(2)18-6-4-3-5-15(18)17-12-19-11-16(20-17)13-7-9-14(22)10-8-13/h3-12,22H,1-2H3
InChIKeyRLZPEQOYCKRTAV-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.58
Rot. Bonds3

About 4-[6-[2-(dimethylamino)phenyl]pyrazin-2-yl]phenol

4-[6-[2-(dimethylamino)phenyl]pyrazin-2-yl]phenol (PubChem CID 137154162) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[6-[2-(dimethylamino)phenyl]pyrazin-2-yl]phenol.

Molecular Properties

Compound Name4-[6-[2-(dimethylamino)phenyl]pyrazin-2-yl]phenol
PubChem CID137154162
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name4-[6-[2-(dimethylamino)phenyl]pyrazin-2-yl]phenol
SMILESCN(C)c1ccccc1-c1cncc(-c2ccc(O)cc2)n1
InChIInChI=1S/C18H17N3O/c1-21(2)18-6-4-3-5-15(18)17-12-19-11-16(20-17)13-7-9-14(22)10-8-13/h3-12,22H,1-2H3
InChIKeyRLZPEQOYCKRTAV-UHFFFAOYSA-N
XLogP3.58
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(dimethylamino)phenyl]pyrazin-2-yl]phenol?
The IUPAC name of 4-[6-[2-(dimethylamino)phenyl]pyrazin-2-yl]phenol (CID 137154162) is 4-[6-[2-(dimethylamino)phenyl]pyrazin-2-yl]phenol.
What is the SMILES notation for 4-[6-[2-(dimethylamino)phenyl]pyrazin-2-yl]phenol?
The canonical SMILES for 4-[6-[2-(dimethylamino)phenyl]pyrazin-2-yl]phenol is CN(C)c1ccccc1-c1cncc(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-[6-[2-(dimethylamino)phenyl]pyrazin-2-yl]phenol?
The InChIKey is RLZPEQOYCKRTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-21(2)18-6-4-3-5-15(18)17-12-19-11-16(20-17)13-7-9-14(22)10-8-13/h3-12,22H,1-2H3.
What are the key properties of 4-[6-[2-(dimethylamino)phenyl]pyrazin-2-yl]phenol?
4-[6-[2-(dimethylamino)phenyl]pyrazin-2-yl]phenol has a molecular weight of 291.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(dimethylamino)phenyl]pyrazin-2-yl]phenol is sourced from PubChem (CID 137154162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).