4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenol

C13H15N3O — CID 113442355

IUPAC4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenol
SMILESCc1cnc(C)c(NCc2ccc(O)cc2)n1
InChIInChI=1S/C13H15N3O/c1-9-7-14-10(2)13(16-9)15-8-11-3-5-12(17)6-4-11/h3-7,17H,8H2,1-2H3,(H,15,16)
InChIKeyUDHUTTOUDSYMEB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.41
Rot. Bonds3

About 4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenol

4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenol (PubChem CID 113442355) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenol
PubChem CID113442355
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenol
SMILESCc1cnc(C)c(NCc2ccc(O)cc2)n1
InChIInChI=1S/C13H15N3O/c1-9-7-14-10(2)13(16-9)15-8-11-3-5-12(17)6-4-11/h3-7,17H,8H2,1-2H3,(H,15,16)
InChIKeyUDHUTTOUDSYMEB-UHFFFAOYSA-N
XLogP2.41
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenol?
The IUPAC name of 4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenol (CID 113442355) is 4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenol is Cc1cnc(C)c(NCc2ccc(O)cc2)n1.
What is the InChIKey of 4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenol?
The InChIKey is UDHUTTOUDSYMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-7-14-10(2)13(16-9)15-8-11-3-5-12(17)6-4-11/h3-7,17H,8H2,1-2H3,(H,15,16).
What are the key properties of 4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenol?
4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenol has a molecular weight of 229.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenol is sourced from PubChem (CID 113442355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).