[3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine

C14H17N3O — CID 82478065

IUPAC[3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine
SMILESCOc1cc(C)c(-c2nccnc2CN)cc1C
InChIInChI=1S/C14H17N3O/c1-9-7-13(18-3)10(2)6-11(9)14-12(8-15)16-4-5-17-14/h4-7H,8,15H2,1-3H3
InChIKeyFJWSZDMXRMWBHK-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.23
Rot. Bonds3

About [3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine

[3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine (PubChem CID 82478065) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine
PubChem CID82478065
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine
SMILESCOc1cc(C)c(-c2nccnc2CN)cc1C
InChIInChI=1S/C14H17N3O/c1-9-7-13(18-3)10(2)6-11(9)14-12(8-15)16-4-5-17-14/h4-7H,8,15H2,1-3H3
InChIKeyFJWSZDMXRMWBHK-UHFFFAOYSA-N
XLogP2.23
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine
CID 82474052
[4-(4-methoxy-2,5-dimethylphenyl)-1,3-oxazol-5-yl]methanamine
CID 82128869
[3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine
CID 82478093
[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine
CID 82478923
3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazine-2-thione
CID 106521271
2-[4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine
CID 93189901
[4-(4-methoxy-2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82483544
[5-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine
CID 82479432
[3-(4-tert-butyl-2,6-dimethylphenyl)pyrazin-2-yl]methanamine
CID 82488017
4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-amine
CID 82480345
5-chloro-6-(4-methoxy-2,5-dimethylphenyl)-1,2,4-triazine
CID 116822857
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine?
The IUPAC name of [3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine (CID 82478065) is [3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine?
The canonical SMILES for [3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine is COc1cc(C)c(-c2nccnc2CN)cc1C.
What is the InChIKey of [3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine?
The InChIKey is FJWSZDMXRMWBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-7-13(18-3)10(2)6-11(9)14-12(8-15)16-4-5-17-14/h4-7H,8,15H2,1-3H3.
What are the key properties of [3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine?
[3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 82478065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).