(2,5-dimethoxyphenyl)-(5-methylpyrazin-2-yl)methanamine

C14H17N3O2 — CID 105145782

IUPAC(2,5-dimethoxyphenyl)-(5-methylpyrazin-2-yl)methanamine
SMILESCOc1ccc(OC)c(C(N)c2cnc(C)cn2)c1
InChIInChI=1S/C14H17N3O2/c1-9-7-17-12(8-16-9)14(15)11-6-10(18-2)4-5-13(11)19-3/h4-8,14H,15H2,1-3H3
InChIKeyPTBUXWJNVIJSPK-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.85
Rot. Bonds4

About (2,5-dimethoxyphenyl)-(5-methylpyrazin-2-yl)methanamine

(2,5-dimethoxyphenyl)-(5-methylpyrazin-2-yl)methanamine (PubChem CID 105145782) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(5-methylpyrazin-2-yl)methanamine.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(5-methylpyrazin-2-yl)methanamine
PubChem CID105145782
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(2,5-dimethoxyphenyl)-(5-methylpyrazin-2-yl)methanamine
SMILESCOc1ccc(OC)c(C(N)c2cnc(C)cn2)c1
InChIInChI=1S/C14H17N3O2/c1-9-7-17-12(8-16-9)14(15)11-6-10(18-2)4-5-13(11)19-3/h4-8,14H,15H2,1-3H3
InChIKeyPTBUXWJNVIJSPK-UHFFFAOYSA-N
XLogP1.85
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-5-methylphenyl)-(5-methylpyrazin-2-yl)methanamine
CID 105144106
(2,5-dimethoxyphenyl)-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 113223365
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
1-(2,5-dimethoxyphenyl)-2-methoxy-2-methylpropan-1-amine
CID 79197544
(2,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 63840532
(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine
CID 43197204
(2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102842057
[(2-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]hydrazine
CID 103397795
(2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine
CID 43124868
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 43197194
(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methanamine
CID 105140357

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(5-methylpyrazin-2-yl)methanamine?
The IUPAC name of (2,5-dimethoxyphenyl)-(5-methylpyrazin-2-yl)methanamine (CID 105145782) is (2,5-dimethoxyphenyl)-(5-methylpyrazin-2-yl)methanamine.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(5-methylpyrazin-2-yl)methanamine?
The canonical SMILES for (2,5-dimethoxyphenyl)-(5-methylpyrazin-2-yl)methanamine is COc1ccc(OC)c(C(N)c2cnc(C)cn2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(5-methylpyrazin-2-yl)methanamine?
The InChIKey is PTBUXWJNVIJSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-7-17-12(8-16-9)14(15)11-6-10(18-2)4-5-13(11)19-3/h4-8,14H,15H2,1-3H3.
What are the key properties of (2,5-dimethoxyphenyl)-(5-methylpyrazin-2-yl)methanamine?
(2,5-dimethoxyphenyl)-(5-methylpyrazin-2-yl)methanamine has a molecular weight of 259.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(5-methylpyrazin-2-yl)methanamine is sourced from PubChem (CID 105145782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).