2,6-dimethyl-4-[1-(pyrazin-2-ylamino)propan-2-yl]phenol

C15H19N3O — CID 59073549

IUPAC2,6-dimethyl-4-[1-(pyrazin-2-ylamino)propan-2-yl]phenol
SMILESCc1cc(C(C)CNc2cnccn2)cc(C)c1O
InChIInChI=1S/C15H19N3O/c1-10-6-13(7-11(2)15(10)19)12(3)8-18-14-9-16-4-5-17-14/h4-7,9,12,19H,8H2,1-3H3,(H,17,18)
InChIKeyOFFQGAJYRILSBO-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.01
Rot. Bonds4

About 2,6-dimethyl-4-[1-(pyrazin-2-ylamino)propan-2-yl]phenol

2,6-dimethyl-4-[1-(pyrazin-2-ylamino)propan-2-yl]phenol (PubChem CID 59073549) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2,6-dimethyl-4-[1-(pyrazin-2-ylamino)propan-2-yl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[1-(pyrazin-2-ylamino)propan-2-yl]phenol
PubChem CID59073549
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2,6-dimethyl-4-[1-(pyrazin-2-ylamino)propan-2-yl]phenol
SMILESCc1cc(C(C)CNc2cnccn2)cc(C)c1O
InChIInChI=1S/C15H19N3O/c1-10-6-13(7-11(2)15(10)19)12(3)8-18-14-9-16-4-5-17-14/h4-7,9,12,19H,8H2,1-3H3,(H,17,18)
InChIKeyOFFQGAJYRILSBO-UHFFFAOYSA-N
XLogP3.01
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[1-(pyrazin-2-ylamino)propan-2-yl]phenol?
The IUPAC name of 2,6-dimethyl-4-[1-(pyrazin-2-ylamino)propan-2-yl]phenol (CID 59073549) is 2,6-dimethyl-4-[1-(pyrazin-2-ylamino)propan-2-yl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[1-(pyrazin-2-ylamino)propan-2-yl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[1-(pyrazin-2-ylamino)propan-2-yl]phenol is Cc1cc(C(C)CNc2cnccn2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[1-(pyrazin-2-ylamino)propan-2-yl]phenol?
The InChIKey is OFFQGAJYRILSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-6-13(7-11(2)15(10)19)12(3)8-18-14-9-16-4-5-17-14/h4-7,9,12,19H,8H2,1-3H3,(H,17,18).
What are the key properties of 2,6-dimethyl-4-[1-(pyrazin-2-ylamino)propan-2-yl]phenol?
2,6-dimethyl-4-[1-(pyrazin-2-ylamino)propan-2-yl]phenol has a molecular weight of 257.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[1-(pyrazin-2-ylamino)propan-2-yl]phenol is sourced from PubChem (CID 59073549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).