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

C14H17N3O2 — CID 133469932

IUPAC2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2nc(C)cnc2C)c1O
InChIInChI=1S/C14H17N3O2/c1-9-7-15-10(2)14(17-9)16-8-11-5-4-6-12(19-3)13(11)18/h4-7,18H,8H2,1-3H3,(H,16,17)
InChIKeyZTMDYZRNVSRJLH-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.42
Rot. Bonds4

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

2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-6-methoxyphenol (PubChem CID 133469932) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-6-methoxyphenol
PubChem CID133469932
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2nc(C)cnc2C)c1O
InChIInChI=1S/C14H17N3O2/c1-9-7-15-10(2)14(17-9)16-8-11-5-4-6-12(19-3)13(11)18/h4-7,18H,8H2,1-3H3,(H,16,17)
InChIKeyZTMDYZRNVSRJLH-UHFFFAOYSA-N
XLogP2.42
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
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

N-[(2-ethoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine
CID 133468436
2-[[(3,5-dibromo-2-pyridinyl)amino]methyl]-6-methoxyphenol
CID 662389
3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine
CID 81423227
2-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]-6-methoxyphenol
CID 133448200
N-[(2,5-difluorophenyl)methyl]-3,6-dimethylpyrazin-2-amine
CID 65417983
2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methoxyphenol
CID 43690589
N-[2-(2-methoxyphenyl)propyl]-3,6-dimethylpyrazin-2-amine
CID 133469828
2-methoxy-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol
CID 83310077
6-[(2-hydroxy-3-methoxyphenyl)methylamino]-3,7-dihydropurine-2-thione
CID 86663302
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine
CID 133471195
2-[(2-hydroxy-3-methoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 9149034
2-[(2-chloro-5-methylanilino)methyl]-6-methoxyphenol
CID 103880785

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-6-methoxyphenol (CID 133469932) is 2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-6-methoxyphenol is COc1cccc(CNc2nc(C)cnc2C)c1O.
What is the InChIKey of 2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-6-methoxyphenol?
The InChIKey is ZTMDYZRNVSRJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-7-15-10(2)14(17-9)16-8-11-5-4-6-12(19-3)13(11)18/h4-7,18H,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-6-methoxyphenol?
2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-6-methoxyphenol has a molecular weight of 259.31 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-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-6-methoxyphenol is sourced from PubChem (CID 133469932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).